Phosphorothioic acid, O,O-dimethyl-5- (2-(methylthio)ethyl)ester
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CAS Number 2587-90-8
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Catalog Number io-2864
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Classification Esters
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Molecular Weight 216.3000
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SMILES COP(=O)(OC)SCCSC
| Size | QTY | Notes | |
|---|---|---|---|
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Demephion-S is an organothiophosphorus compound.
| 1 | Demephion-S |
| 2 | Isotinox |
| 3 | 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane |
| 4 | Cebetox |
| 5 | Phosphorothioic acid, O,O-dimethyl S-(2-(methylthio)ethyl) ester |
| Molecular Formula | C5H13O3PS2 |
|---|---|
| Canonical SMILES | COP(=O)(OC)SCCSC |
| Isomeric SMILES | COP(=O)(OC)SCCSC |
| Molecular Weight | 216.3000 |
| InChIKey | PSTWJANBJOHFQJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3/h4-5H2,1-3H3 |
| XLogP | 0.7000 |
| ExactMass | 216.0044 |
| MonoisotopicMass | 216.0044 |
| TPSA | 86.1000 |
| Complexity | 134.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 2988 |
| PatentFamilyCount | 689 |
| LiteratureCount | 8 |
