Molecule ID: 23717

IUPAC Name: (4-methylsulfanylphenyl) dipropyl phosphate

Description: The molecule is an organophosphate insecticide and a dialkyl aryl phosphate. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It derives from a 4-(methylsulfanyl)phenol.

SMILES: CCCOP(=O)(OCCC)Oc1ccc(SC)cc1

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

InChI: InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 3.9