Compound: thymine
SMILES: O=c1[nH]c(=O)c(C)c[nH]1
InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N
Synonyms: thymine, 65-71-4, 5-methyluracil, 2,4-Dihydroxy-5-methylpyrimidine, Thymin, 5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, Thymine anhydrate, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, 5-methyl-1H-pyrimidine-2,4-dione, Thymin (purine base), 5-methyl-2,4(1H,3H)-pyrimidinedione, DTXSID4052342, QR26YLT7LT, NSC14705, CHEBI:17821, NSC-14705, DTXCID4030914, NSC-168663, 5 Methyluracil, RefChem:6308, 200-616-1, 5-methylpyrimidine-2,4(1H,3H)-dione, 5-Methyl Uracil, MFCD00006026, CCRIS 5584, 5-methylpyrimidine-2,4-diol, AI3-25479, CHEMBL993, THYMINE-13C1, 123430-67-1, 153445-43-3, thymine-d4, 5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE (THYMINE), 2792-47-4, 3059-73-2, THYMINE,[2-14C], Thymine-t, Zidovudine EP Impurity C, Thy, Thymine (VAN), (3H)Methylthymidine, 5-methyl-1,3-dihydropyrimidine-2,4-dione, Methyl-3H thymidine, Thymine (8CI), 24523-96-4, EINECS 200-616-1, UNII-QR26YLT7LT, NSC 14705, 5-methyl-uracil, Thymine (Standard), Thymine, >=99%, THYMINE [MI], THYMINE [WHO-DD], Epitope ID:167476, SCHEMBL5235, 2,4(1H,3H)-Pyrimidinedione, 5-methyl- (9CI), 69497-78-5, SCHEMBL143917, SCHEMBL439035, SCHEMBL537218, SCHEMBL546931, 5-Methyl-2,4-dioxypyrimidine, THYMINE [USP IMPURITY], 2.6-Dioxy-5-methyl-pyrimidin, GTPL4581, orb1296050, SCHEMBL2304446, SCHEMBL2322416, SCHEMBL4152636, SCHEMBL15496760, SCHEMBL16356870, WLN: T6N CNJ BQ DQ E1, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, labeled with tritium, HMS5086D03, AIA49679, HY-W010450R, TCA94198, 2,3H)-Pyrimidinedione, 5-methyl-, Tox21_303929, BDBM50134397, EBC-04269, MSK000951, s9382, SBB058343, STL280241, STL477641, STAVUINE IMPURITY A [WHO-IP], AKOS000120923, AKOS002337369, AC-7756, CCG-266101, CS-W011166, DB03462, FT06260, HY-W010450, SB57778, ZIDOVUDINE IMPURITY C [WHO-IP], CAS-65-71-4, NCGC00357169-01, SY014896, Thymine, Vetec(TM) reagent grade, 99%, 2(1H)-Pyrimidinone, 4-hydroxy-5-methyl-, 4(1H)-Pyrimidinone, 2-hydroxy-5-methyl-, 4(3H)-Pyrimidinone, 2-hydroxy-5-methyl-, DB-016098, DB-268941, DB-268967, DB-272085, DB-272203, pyrimidine-2,4(1H,3H)-dione, 5-methyl-, ZIDOVUDINE IMPURITY C [EP IMPURITY], NS00001295, ST51016238, EN300-21969, C00178, Thymine, suitable for cell culture, BioReagent, 2(1H)-PYRIMIDINONE, 6-HYDROXY-5-METHYL-, F036430, Q171973, SR-01000945223, SR-01000945223-1, Zidovudine EP Impurity C; Stavudine EP Impurity A, 036B9F1D-9B61-4CED-967C-BF1DA180E5C2, F0001-1753, Z147641104, InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9, 691841-57-3
Theoretical properties:
molecular_formula: C5H6N2O2
molecular_weight: 126.11 g/mol
exact_mass: 126.042927438 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 58.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.00000133 [mmHg]
Descriptions:
pubchem: Thymine is a pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a pyrimidine nucleobase and a pyrimidone.
chebi: A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group.
chembl: THYMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Thymine () (symbol T or Thy) is one of the four nucleotide bases in the nucleic acid of DNA that are represented by the letters G–C–A–T. The others are adenine, guanine, and cytosine. Thymine is also known as 5-methyluracil, a pyrimidine nucleobase. In RNA, thymine is replaced by the nucleobase uracil.  Thymine was first isolated in 1893 by Albrecht Kossel and Albert Neumann from calf thymus glands, hence its name.