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Chemical structure of Chlorpyrifos

GC60108

Chlorpyrifos

Also known as diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-lambda5-phosphane

Chlorpyrifos, as a broad-spectrum organophosphorothioate insecticide, has a principal mechanism of toxicity by inactivation of acetylcholinesterase at nerve junctions

ChemicalCAS2921-88-2MW350.59FormulaC9H11Cl3NO3PS
CAS number
2921-88-2
Molecular weight
350.59
Formula
C9H11Cl3NO3PS
Solubility
DMSO: 250 mg/mL (713·08 mM)
InChIKey
SBPBAQFWLVIOKP-UHFFFAOYSA-N
Catalogue number
GC60108
Brand
GLPBIO
Computed properties PubChem CID 2730 · XLogP 5.3 · TPSA 72.7 Ų · H-bond donors 0
XLogP
5.3
TPSA
72.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
18

SMILES CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl

Computed descriptors from PubChem (CID 2730), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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