Molecule ID: 37125

IUPAC Name: ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane

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

SMILES: CCCSP(=S)(OCC)Oc1ccc(SC)cc1

SELFIES: [C][C][C][S][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2]

InChI: InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 4.9