Molecule ID: 5859

IUPAC Name: 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide

Description: The molecule is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and an anthelminthic drug. It derives from a 4-hydroxy-N,N-dimethylbenzenesulfonamide.

SMILES: COP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)cc1

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

InChI: InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 2.2