Molecule ID: 12901

IUPAC Name: 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione

Description: The molecule is an organic thiophosphate, an organothiophosphate insecticide and a member of phthalimides. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a N-(hydroxymethyl)phthalimide.

SMILES: COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O

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

InChI: InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 2.8