Molecule ID: 121232644

IUPAC Name: 8-methylsulfinyloctanenitrile

Description: The molecule is a member of the class of aliphatic nitriles that is octanenitrile in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.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)CCCCCCCC#N

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

InChI: InChI=1S/C9H17NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3

Molecular Properties:
- Polar Surface Area: 60.1 Ų
- LogP: 1.2