Molecule ID: 85993300

IUPAC Name: 9-methylsulfinylnonanenitrile

Description: The molecule is a member of the class of aliphatic nitriles that is nonanenitrile in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group. It has a role as a plant metabolite. It is an aliphatic nitrile and a sulfoxide.

SMILES: CS(=O)CCCCCCCCC#N

SELFIES: [C][S][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][#N]

InChI: InChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3

Molecular Properties:
- Polar Surface Area: 60.1 Ų
- LogP: 1.7