Molecule ID: 17435

IUPAC Name: ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate

Description: The molecule is an organic thiophosphate that is ethyl mandelate in which the hydroxy group has been replaced by a (dimethoxyphosphorothioyl)sulfanediyl group. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It is an organic thiophosphate, an organothiophosphate insecticide and an ethyl ester.

SMILES: CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1

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

InChI: InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 3.7