Molecule ID: 46173364

IUPAC Name: 7-methylsulfanylheptanenitrile oxide

Description: The molecule is a nitrile oxide that is hexane in which two of the terminal methyl hydrogens at positions 1 and 6 have been replaced by oxidonitrile and methylsulfanyl groups. It has a role as an Arabidopsis thaliana metabolite. It is a methyl sulfide and a nitrile oxide. It derives from a hydride of a hexane.

SMILES: CSCCCCCCC#[N+][O-]

SELFIES: [C][S][C][C][C][C][C][C][C][#N+1][O-1]

InChI: InChI=1S/C8H15NOS/c1-11-8-6-4-2-3-5-7-9-10/h2-6,8H2,1H3

Molecular Properties:
- Polar Surface Area: 56.0 Ų
- LogP: 1.6