Molecule ID: 17434

IUPAC Name: ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate

Description: The molecule is an organic thiophosphate that is O,O-diethyl hydrogen phosphorodithioate in which the hydrogen attached to a sulfur is replaced by a 2-[(ethoxycarbonyl)(methyl)amino]-2-oxoethyl group. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It is an organic thiophosphate, an organothiophosphate insecticide and a carbamate ester.

SMILES: CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC

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

InChI: InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 2.4