Chlorpyrifos-methyl
CAS: 5598-13-0
| 1 | Chlorpyrifos-methyl |
| 2 | Trichlormethylfos |
| 3 | Chloropyriphos-methyl |
| 4 | Methyl chlorpyrifos |
| 5 | Reldan |
Chlorpyrifos-methyl is an organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. It has a role as an agrochemical, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an environmental contaminant, a xenobiotic, an acaricide and an insecticide. It is an organic thiophosphate and a chloropyridine.
| Molecular Formula | C7H7Cl3NO3PS |
|---|---|
| Canonical SMILES | COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl |
| Isomeric SMILES | COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl |
| Molecular Weight | 322.5000 |
| InChIKey | HRBKVYFZANMGRE-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3 |
| XLogP | 4.3000 |
| ExactMass | 320.8950 |
| MonoisotopicMass | 320.8950 |
| TPSA | 72.7000 |
| Complexity | 278.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 25961 |
| PatentFamilyCount | 6320 |
| LiteratureCount | 780 |