cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.34847/nkl.fe2a2fpx
title: ANNEXE 22 – Analyse pétrographique de céramiques campaniformes du site de la rue du Bouquet (Montélimar)

description: Annexe 22 de l'ouvrage "Exploitation des ressources argileuses et types de dégraissants de la céramique du Néolithique ancien au début de l’âge du Bronze en France méridionale" (Convertini, 2025)
description: Appendix 22 of the book "Exploitation of clay resources and types of temper in ceramics from the Early Neolithic to the beginning of the Bronze Age in Southern France"
description: Cet ouvrage traite des pratiques potières mises en œuvre au cours des premières phases de la chaîne opératoire de fabrication de la céramique des sociétés du Néolithique et du début de l’âge du Bronze, soit sur une durée de près de quatre millénaires, dans une aire géographique qui correspond au pourtour méditerranéen et à la moyenne vallée du Rhône et ses marges, depuis la frontière italienne jusqu’à la Catalogne espagnole, avec une ouverture ponctuelle vers le Sud-Ouest, les Grands Causses et les Alpes méridionales. Le nombre de sites pris en compte est de 152, un même site pouvant livrer des occupations de plusieurs périodes chronologiques, et le nombre de vases étudiés est de 2303.
description: This book examines pottery practices implemented during the early phases of the ceramic manufacturing chain of Neolithic and early Bronze Age societies, spanning a period of nearly four millennia, in a geographical area corresponding to the mediterranean rim and the middle Rhône valley and its margins, from the italian border to spanish Catalonia, with occasional expansions to the southwest, the Grands Causses, and the southern Alps. The number of sites considered is 152, with a single site potentially yielding occupations from several chronological periods, and the number of vessels studied is 2,303.
description: Bibliographic citation: CONVERTINI (F). Exploitation des ressources argileuses et types de dégraissants de la céramique du Néolithique ancien au début de l’âge du Bronze en France méridionale. Toulouse : Archives d’Écologie Préhistorique, 2025, 436 p.
DOI: 10.15468/dl.4gh6pf
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((110.794 1.390183, 110.723717 1.384615, 110.655165 1.368048, 110.590033 1.340891, 110.529926 1.303812, 110.476323 1.257726, 110.430545 1.203766, 110.393719 1.143262, 110.366751 1.077705, 110.350304 1.008708, 110.344783 0.937971, 110.350322 0.867235, 110.366785 0.798243, 110.393766 0.732692, 110.4306 0.672196, 110.476381 0.618245, 110.52998 0.572167, 110.59008 0.535096, 110.655199 0.507945, 110.723734 0.491383, 110.794 0.485816, 110.864266 0.491383, 110.932801 0.507945, 110.99792 0.535096, 111.05802 0.572167, 111.111619 0.618245, 111.1574 0.672196, 111.194234 0.732692, 111.221215 0.798243, 111.237678 0.867235, 111.243217 0.937971, 111.237696 1.008708, 111.221249 1.077705, 111.194281 1.143262, 111.157455 1.203766, 111.111677 1.257726, 111.058074 1.303812, 110.997967 1.340891, 110.932835 1.368048, 110.864283 1.384615, 110.794 1.390183))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002547-260119153935675/datasets/export for details.
DOI: 10.15468/dl.ea75vr
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((103.404 -1.458819, 103.333714 -1.464385, 103.265158 -1.480945, 103.200018 -1.508093, 103.139898 -1.545159, 103.086278 -1.591232, 103.040476 -1.645178, 103.003622 -1.705669, 102.976623 -1.771216, 102.960145 -1.840207, 102.954594 -1.910941, 102.960109 -1.981678, 102.976554 -2.050676, 103.003527 -2.116236, 103.040364 -2.176744, 103.08616 -2.230707, 103.139786 -2.276798, 103.199923 -2.313881, 103.265089 -2.341041, 103.333678 -2.35761, 103.404 -2.363178, 103.474322 -2.35761, 103.542911 -2.341041, 103.608077 -2.313881, 103.668214 -2.276798, 103.72184 -2.230707, 103.767636 -2.176744, 103.804473 -2.116236, 103.831446 -2.050676, 103.847891 -1.981678, 103.853406 -1.910941, 103.847855 -1.840207, 103.831377 -1.771216, 103.804378 -1.705669, 103.767524 -1.645178, 103.721722 -1.591232, 103.668102 -1.545159, 103.607982 -1.508093, 103.542842 -1.480945, 103.474286 -1.464385, 103.404 -1.458819))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002546-260119153935675/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18311792
title: Sida prostrata Cav. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:54
DOI: 10.5281/zenodo.18311793
title: Sida prostrata Cav. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:54
DOI: 10.15468/dl.bm34dc
title: Occurrence Download

description: A dataset containing 7531 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Vaccinium myrtillus, Vaccinium myrtillus)",
 "Geometry POLYGON ((8.643 46.99, 14.1 46.92, 14.43 50.75, 8.534 50.83, 8.643 46.99))",
 "Year is greater than or equal to 2010",
 "OccurrenceStatus is Present",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "CoordinateUncertaintyInMeters is less than or equal to 50",
 "BasisOfRecord is one of (Observation, Human Observation, Machine Observation, Material sample)"
 ]
}

 The dataset includes 7531 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002548-260119153935675/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/fbqupqdqxgqfox-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/fbqupqdqxgqfox-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/fbqupqdqxgqfox-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/fbqupqdqxgqfox-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fbqupqdqxgqfox-uhfffaoysa-n.1
title: phenylethynyl-bicyclo[1.1.1]pentane-sulfone
title: InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2, and canonical SMILES descriptor[cheminf_000007]: O=S(=O)(C12CC(C1)C2)C#Cc1ccccc1, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-60114

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/fbqupqdqxgqfox-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/fbqupqdqxgqfox-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/cetomtmuyqnkjt-uhfffaoysa-n.1
title: ethyl 4-(4-methylphenyl)sulfonylbenzoate
title: InChI=1S/C16H16O4S/c1-3-20-16(17)13-6-10-15(11-7-13)21(18,19)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C16H16O4S/c1-3-20-16(17)13-6-10-15(11-7-13)21(18,19)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C, and by the IUPAC name[cheminf_000107]: ethyl 4-(4-methylphenyl)sulfonylbenzoate.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-59492

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 88.0 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0002338 | electrospray ionisation time-of-flight quadrupole detection (ESI Q-TOF)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/cetomtmuyqnkjt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (ethyl 4-(4-methylphenyl)sulfonylbenzoate)
title: InChI=1S/C16H16O4S/c1-3-20-16(17)13-6-10-15(11-7-13)21(18,19)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/cetomtmuyqnkjt-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (ethyl 4-(4-methylphenyl)sulfonylbenzoate)
title: InChI=1S/C16H16O4S/c1-3-20-16(17)13-6-10-15(11-7-13)21(18,19)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/cetomtmuyqnkjt-uhfffaoysa-n/chmo0002338
title: electrospray ionisation time-of-flight quadrupole detection (ESI Q-TOF) (ethyl 4-(4-methylphenyl)sulfonylbenzoate)
title: InChI=1S/C16H16O4S/c1-3-20-16(17)13-6-10-15(11-7-13)21(18,19)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3

description: dataset for electrospray ionisation time-of-flight quadrupole detection (ESI Q-TOF)
DOI: 10.14272/cetomtmuyqnkjt-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (ethyl 4-(4-methylphenyl)sulfonylbenzoate)
title: InChI=1S/C16H16O4S/c1-3-20-16(17)13-6-10-15(11-7-13)21(18,19)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/cetomtmuyqnkjt-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (ethyl 4-(4-methylphenyl)sulfonylbenzoate)
title: InChI=1S/C16H16O4S/c1-3-20-16(17)13-6-10-15(11-7-13)21(18,19)14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.15468/dl.ywqmgv
title: Occurrence Download

description: A dataset containing 283 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Nepal",
 "TaxonKey is Catreus wallichii"
 ]
}

 The dataset includes 283 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002549-260119153935675/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18311800
title: Sida urens L. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:54
DOI: 10.5281/zenodo.18311801
title: Sida urens L. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:54
DOI: 10.6084/m9.figshare.28768793
title: Data and scripts for figures in Benavides <i>et al</i>. "Intermittent grain activity from grain-scale collective entrainment rules" (2026).

description: The zip file contains the following:1) Paper_Figures_Intermittency.py and .ipynb (Jupyter notebook), which are the scripts used to make Figures 1-6 in Benavides <i>et al</i>. "Intermittent grain activity from grain-scale collective entrainment rules" (2026).2) 'Data' directory, which includes (i) full data sets for three runs at (Nx,Ny) = (200,1000), specifically for N_in = 60,100, and 300, as well as for (Nx,Ny) = (200,500) for N_in = {20,50,90,250,375} which was used to compute residence times for Figure 5; (ii) the skewness of the grain activity time series for all runs ('skewness_all_Nys.npy'), (iii) bed and entrainment fields for a small sample run used in Figure 3.3) 'PDE_model_data' directory which includes (i) 'cont_model.py', a python script used to evolve the 1D PDE derived in the paper, (ii) full model results for a series of runs of the 1D PDE used in Figure 5 of the paper.4) 'model.py', the lattice model script used in the simulations. However, it is better to use the resources at https://doi.org/10.5281/zenodo.15182885 for learning how to run the model.
DOI: 10.6084/m9.figshare.28768793.v3
title: Data and scripts for figures in Benavides <i>et al</i>. "Intermittent grain activity from grain-scale collective entrainment rules" (2026).

description: The zip file contains the following:1) Paper_Figures_Intermittency.py and .ipynb (Jupyter notebook), which are the scripts used to make Figures 1-6 in Benavides <i>et al</i>. "Intermittent grain activity from grain-scale collective entrainment rules" (2026).2) 'Data' directory, which includes (i) full data sets for three runs at (Nx,Ny) = (200,1000), specifically for N_in = 60,100, and 300, as well as for (Nx,Ny) = (200,500) for N_in = {20,50,90,250,375} which was used to compute residence times for Figure 5; (ii) the skewness of the grain activity time series for all runs ('skewness_all_Nys.npy'), (iii) bed and entrainment fields for a small sample run used in Figure 3.3) 'PDE_model_data' directory which includes (i) 'cont_model.py', a python script used to evolve the 1D PDE derived in the paper, (ii) full model results for a series of runs of the 1D PDE used in Figure 5 of the paper.4) 'model.py', the lattice model script used in the simulations. However, it is better to use the resources at https://doi.org/10.5281/zenodo.15182885 for learning how to run the model.
DOI: 10.14272/warsxfxkwndlok-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-methyl-4-(4-methylsulfanylphenyl)sulfonylbenzene)
title: InChI=1S/C14H14O2S2/c1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.6084/m9.figshare.28768793.v2
title: Data and scripts for figures in Benavides <i>et al</i>. "Intermittent grain activity from grain-scale collective entrainment rules" (2025).

description: The zip file contains the following:1) Paper_Figures_Intermittency.py and .ipynb (Jupyter notebook), which are the scripts used to make Figures 1-5 in Benavides <i>et al</i>. "Intermittent grain activity from grain-scale collective entrainment rules" (2025).2) 'Data' directory, which includes (i) full data sets for three runs at (Nx,Ny) = (200,1000), specifically for N_in = 60,100, and 300; (ii) the skewness of the grain activity time series for all runs ('skewness_all_Nys.npy'), (iii) bed and entrainment fields for a small sample run used in Figure 3.3) 'PDE_model_data' directory which includes (i) 'cont_model.py', a python script used to evolve the 1D PDE derived in the paper, (ii) full model results for a series of runs of the 1D PDE used in Figure 5 of the paper.4) 'model.py', the lattice model script used in the simulations. However, it is better to use the resources at https://doi.org/10.5281/zenodo.15182885 for learning how to run the model.
DOI: 10.14272/warsxfxkwndlok-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-methyl-4-(4-methylsulfanylphenyl)sulfonylbenzene)
title: InChI=1S/C14H14O2S2/c1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/warsxfxkwndlok-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-methyl-4-(4-methylsulfanylphenyl)sulfonylbenzene)
title: InChI=1S/C14H14O2S2/c1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/warsxfxkwndlok-uhfffaoysa-n.1
title: 1-methyl-4-(4-methylsulfanylphenyl)sulfonylbenzene
title: InChI=1S/C14H14O2S2/c1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C14H14O2S2/c1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CSc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C, and by the IUPAC name[cheminf_000107]: 1-methyl-4-(4-methylsulfanylphenyl)sulfonylbenzene.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-59535

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 118.0 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations