Molecule ID: 560193

IUPAC Name: 2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide

Description: The molecule is an organic thiophosphate that is N-methyl-2-[(2-sulfanylethyl)sulfanyl]propanamide in which the thiol group has been converted into the corresponding O,O-dimethyl thiophoshate. Formerly used as an insecticide and acaricide, it is no longer approved for use within the European Union. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide, an agrochemical, an antibacterial agent and an antifungal agent. It is an organic thiophosphate and an organothiophosphate insecticide. It derives from a 2-((2-hydroxyethyl)sulfanyl)-N-methylpropionamide.

SMILES: CN=C(O)C(C)SCCSP(=O)(OC)OC

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

InChI: InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 0.3