Ethyl 2-isothiocyanato-4-(methylthio)butanoate
ethyl 2-isothiocyanato-4-methylsulfanylbutanoate
Also Known As: Ethyl 2-isothiocyanato-4-(methylthio)butanoate|ethyl 2-isothiocyanato-4-methylsulfanylbutanoate|6074AE|ethyl 2-isothiocyanato-4-(methylsulfanyl)butanoate|Ethyl N-(sulfanylidenemethylidene)methioninate
CAS: 58511-07-2
| Molecular Formula | C8H13NO2S2 |
|---|---|
| Molecular Weight | 219.03877 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.03877 |
| Monoisotopic Mass | 219.03877 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 58511-07-2 |
|---|---|
| SMILES | CCOC(=O)C(CCSC)N=C=S |
| InChIKey | PZIMADCJEIBHGU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-isothiocyanato-4-(methylthio)butanoate (CAS 58511-07-2), with molecular formula C8H13NO2S2 and molecular weight 219.03877 g/mol. IUPAC: ethyl 2-isothiocyanato-4-methylsulfanylbutanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
Ethyl 2-isothiocyanato-4-(methylthio)butanoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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