Molecule ID: 90479

IUPAC Name: propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate

Description: The molecule is an organothiophosphate insecticide, an organic phosphonate, a phosphonic ester, a member of salicylates and an isopropyl ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and an avicide. It derives from an isopropyl salicylate.

SMILES: COP(N)(=S)Oc1ccccc1C(=O)OC(C)C

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

InChI: InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 2.4