Molecule ID: 5360460

IUPAC Name: (E)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

Description: The molecule is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor and an agrochemical. It derives from a (hydroxyimino)(phenyl)acetonitrile.

SMILES: CCOP(=S)(OCC)O/N=C(/C#N)c1ccccc1

SELFIES: [C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][/N][=C][Branch1][Ring1][/C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12-

Molecular Properties:
- Polar Surface Area: 95.9 Ų
- LogP: 4.4