Molecule ID: 3082

IUPAC Name: 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide

Description: The molecule is a monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical, an acaricide, an EC 3.1.1.8 (cholinesterase) inhibitor, an insecticide, a xenobiotic and an environmental contaminant. It is an organic thiophosphate and a monocarboxylic acid amide. It derives from a N-methyl-2-sulfanylacetamide.

SMILES: CN=C(O)CSP(=S)(OC)OC

SELFIES: [C][N][=C][Branch1][C][O][C][S][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C]

InChI: InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 0.8