Molecule ID: 36870

IUPAC Name: (2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane

Description: The molecule is an organic thiophosphate that is the 2,4-dichlorophenyl ester of O-ethyl S-propyl dithiophosphoric acid. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an agrochemical and an insecticide. It is an organic thiophosphate, a dichlorobenzene and an organosulfur compound. It derives from a 2,4-dichlorophenol.

SMILES: CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl

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

InChI: InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 75.8 Ų
- LogP: 4.9