Coumaphos
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CAS Number 56-72-4
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Catalog Number io-2034
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Classification Aryl Halides
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Molecular Weight 362.8000
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SMILES CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C
| Size | QTY | Notes | |
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Coumaphos is an organothiophosphate insecticide, an organic thiophosphate and an organochlorine compound. It has a role as an agrochemical, an acaricide, an antinematodal drug, an avicide and an EC 3.1.1.8 (cholinesterase) inhibitor. It is functionally related to a chlorferron.
| 1 | COUMAPHOS |
| 2 | Coumafos |
| 3 | Asuntol |
| 4 | Asunthol |
| 5 | Meldane |
| Molecular Formula | C14H16ClO5PS |
|---|---|
| Canonical SMILES | CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C |
| Isomeric SMILES | CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C |
| Molecular Weight | 362.8000 |
| InChIKey | BXNANOICGRISHX-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3 |
| XLogP | 4.5000 |
| ExactMass | 362.0145 |
| MonoisotopicMass | 362.0145 |
| TPSA | 86.1000 |
| Complexity | 500.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 22 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 18222 |
| PatentFamilyCount | 4173 |
| LiteratureCount | 1056 |
