Demeton
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CAS Number 8065-48-3
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Catalog Number io-2102
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Classification Esters
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Molecular Weight 516.7000
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SMILES CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | DEMETON |
| 2 | Systox |
| 3 | Demeton (OS) |
| 4 | Demeton (O&S) |
| 5 | diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane |
| Molecular Formula | C16H38O6P2S4 |
|---|---|
| Canonical SMILES | CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC |
| Isomeric SMILES | CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC |
| Molecular Weight | 516.7000 |
| InChIKey | FAXIJTUDSBIMHY-UHFFFAOYSA-N |
| InChI | InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3 |
| XLogP | 0.0000 |
| ExactMass | 516.1026 |
| MonoisotopicMass | 516.1026 |
| TPSA | 171.0000 |
| Complexity | 336.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 10 |
| RotatableBondCount | 18 |
| HeavyAtomCount | 28 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 6275 |
| PatentFamilyCount | 1911 |
| LiteratureCount | 521 |
