Molecule ID: 93460

IUPAC Name: 1-(4-chlorophenyl)-4-[ethoxy(propylsulfanyl)phosphoryl]oxypyrazole

Description: The molecule is an organic thiophosphate, an organothiophosphate insecticide, an organochlorine insecticide, a member of pyrazoles, a member of monochlorobenzenes and an organosulfur compound. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical.

SMILES: CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1

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

InChI: InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 78.6 Ų
- LogP: 3.8