Disulfoton
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CAS Number 298-04-4
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Catalog Number io-2298
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Classification Esters
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Molecular Weight 274.4000
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SMILES CCOP(=S)(OCC)SCCSCC
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Disulfoton is an organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It is an organic thiophosphate and an organothiophosphate insecticide.
| 1 | disulfoton |
| 2 | Dithiodemeton |
| 3 | Dithiosystox |
| 4 | Thiodemeton |
| 5 | Di-syston |
| Molecular Formula | C8H19O2PS3 |
|---|---|
| Canonical SMILES | CCOP(=S)(OCC)SCCSCC |
| Isomeric SMILES | CCOP(=S)(OCC)SCCSCC |
| Molecular Weight | 274.4000 |
| InChIKey | DOFZAZXDOSGAJZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3 |
| XLogP | 4.0000 |
| ExactMass | 274.0285 |
| MonoisotopicMass | 274.0285 |
| TPSA | 101.0000 |
| Complexity | 168.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 9 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 29608 |
| PatentFamilyCount | 6904 |
| LiteratureCount | 994 |
