Molecule ID: 33294

IUPAC Name: di(propan-2-yloxy)phosphorylsulfanylmethylbenzene

Description: The molecule is an organic thiophosphate that is the S-benzyl O,O-diisopropyl ester of phosphorothioic acid. Used as a rice fungicide to control leaf and ear blast, stem rot and sheath blight. It has a role as a phospholipid biosynthesis inhibitor and an antifungal agrochemical.

SMILES: CC(C)OP(=O)(OC(C)C)SCc1ccccc1

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

InChI: InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3

Molecular Properties:
- Polar Surface Area: 60.8 Ų
- LogP: 3.2