Molecule ID: 28292

IUPAC Name: [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene

Description: The molecule is an organic thiophosphate that is the O-ethyl-S,S-diphenyl ester of phosphorodithioic acid. Used to control a variety of fungal diseases on rice including blast, ear blight and stem rot. Edifenphos is moderately toxic to mammals and fish but poses more of a risk to aquatic invertebrates. It has a role as a neurotoxin, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a phospholipid biosynthesis inhibitor and an antifungal agrochemical.

SMILES: CCOP(=O)(Sc1ccccc1)Sc1ccccc1

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

InChI: InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 76.9 Ų
- LogP: 3.8