Molecule ID: 46173282

IUPAC Name: 6-methylsulfanylhexanenitrile oxide

Description: The molecule is a nitrile oxide that is pentane in which two of the terminal methyl hydrogens at positions 1 and 5 have been replaced by oxidonitrile and methylsulfanyl groups. It has a role as an Arabidopsis thaliana metabolite. It is a nitrile oxide and a methyl sulfide. It derives from a hydride of a pentane.

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

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

InChI: InChI=1S/C7H13NOS/c1-10-7-5-3-2-4-6-8-9/h2-5,7H2,1H3

Molecular Properties:
- Polar Surface Area: 56.0 Ų
- LogP: 1.1