Ethyl methanesulfonate
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CAS Number 62-50-0
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Catalog Number io-2374
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Classification Esters
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Molecular Weight 124.1600
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SMILES CCOS(=O)(=O)C
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Ethyl Methanesulfonate can cause cancer according to an independent committee of scientific and health experts.
| 1 | ETHYL METHANESULFONATE |
| 2 | Ethyl mesylate |
| 3 | Ethyl methanesulphonate |
| 4 | Half-myleran |
| 5 | Methanesulfonic acid, ethyl ester |
| Molecular Formula | C3H8O3S |
|---|---|
| Canonical SMILES | CCOS(=O)(=O)C |
| Isomeric SMILES | CCOS(=O)(=O)C |
| Molecular Weight | 124.1600 |
| InChIKey | PLUBXMRUUVWRLT-UHFFFAOYSA-N |
| InChI | InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3 |
| XLogP | 0.0000 |
| ExactMass | 124.0194 |
| MonoisotopicMass | 124.0194 |
| TPSA | 51.8000 |
| Complexity | 118.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 7 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 25950 |
| PatentFamilyCount | 8877 |
| LiteratureCount | 6499 |
