Ethion
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CAS Number 563-12-2
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Catalog Number io-2346
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Classification Esters
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Molecular Weight 384.5000
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SMILES CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
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Ethion is an organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7). It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide, an agrochemical, an insecticide and an environmental contaminant.
| 1 | ethion |
| 2 | Diethion |
| 3 | Ethanox |
| 4 | Ethopaz |
| 5 | Nialate |
| Molecular Formula | C9H22O4P2S4 |
|---|---|
| Canonical SMILES | CCOP(=S)(OCC)SCSP(=S)(OCC)OCC |
| Isomeric SMILES | CCOP(=S)(OCC)SCSP(=S)(OCC)OCC |
| Molecular Weight | 384.5000 |
| InChIKey | RIZMRRKBZQXFOY-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 |
| XLogP | 5.1000 |
| ExactMass | 383.9876 |
| MonoisotopicMass | 383.9876 |
| TPSA | 152.0000 |
| Complexity | 279.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 12 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 33882 |
| PatentFamilyCount | 8209 |
| LiteratureCount | 1453 |
