Molecule ID: 17522

IUPAC Name: 4-dimethoxyphosphinothioyloxybenzonitrile

Description: The molecule is an organothiophosphate insecticide and an organic thiophosphate. It has a role as an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It derives from a 4-cyanophenol.

SMILES: COP(=S)(OC)Oc1ccc(C#N)cc1

SELFIES: [C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]

InChI: InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: 2.7