Molecule ID: 17531

IUPAC Name: 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Description: The molecule is an organothiophosphate insecticide and an organic thiophosphate. It has a role as an acaricide, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It derives from a hydride of a 1,2,3-benzotriazine.

SMILES: CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O

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

InChI: InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 3.4