Molecule ID: 8381

IUPAC Name: 6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one

Description: The molecule is an organic thiophosphate, an organothiophosphate insecticide and a pyridazinone. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It derives from a 6-hydroxy-2-phenylpyridazin-3-one.

SMILES: CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1

SELFIES: [C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=N]

InChI: InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 92.4 Ų
- LogP: 3.3