Molecule ID: 10171359

IUPAC Name: 1-isothiocyanato-8-methylsulfanyloctane

Description: The molecule is an isothiocyanate that is octane in which two of the terminal methyl hydrogens at positions 1 and 8 have been replaced by isothiocyanato and methylsulfanyl groups. It has a role as an Arabidopsis thaliana metabolite. It is an isothiocyanate and a methyl sulfide. It derives from a hydride of an octane.

SMILES: CSCCCCCCCCN=C=S

SELFIES: [C][S][C][C][C][C][C][C][C][C][N][=C][=S]

InChI: InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3

Molecular Properties:
- Polar Surface Area: 69.8 Ų
- LogP: 4.8