Molecule ID: 93516

IUPAC Name: (2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane

Description: The molecule is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It derives from a 2-tert-butylpyrimidin-5-ol.

SMILES: CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C

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

InChI: InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3

Molecular Properties:
- Polar Surface Area: 85.6 Ų
- LogP: 4.2