Demeton-S-methyl
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CAS Number 919-86-8
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Catalog Number io-2103
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Classification Esters
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Molecular Weight 230.3000
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SMILES CCSCCSP(=O)(OC)OC
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Demeton-S-methyl is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an acaricide, an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a 2-(ethylsulfanyl)ethanethiol.
| 1 | DEMETON-S-METHYL |
| 2 | Metaisoseptox |
| 3 | Metasystox 55 |
| 4 | Metaisosystox |
| 5 | Duratox |
| Molecular Formula | C6H15O3PS2 |
|---|---|
| Canonical SMILES | CCSCCSP(=O)(OC)OC |
| Isomeric SMILES | CCSCCSP(=O)(OC)OC |
| Molecular Weight | 230.3000 |
| InChIKey | WEBQKRLKWNIYKK-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3 |
| XLogP | 1.0000 |
| ExactMass | 230.0200 |
| MonoisotopicMass | 230.0200 |
| TPSA | 86.1000 |
| Complexity | 146.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 21324 |
| PatentFamilyCount | 4630 |
| LiteratureCount | 310 |
