ethyl (2S)-2-isothiocyanatopropanoate
ethyl (2S)-2-isothiocyanatopropanoate
Also Known As: ethyl (2S)-2-isothiocyanatopropanoate|Ethyl L-2-isothiocyanatopropionate|Ethyl 2-isothiocyanatopropionate|Propanoic acid, 2-isothiocyanato-, ethyl ester, (S)-|(+)-cis-(1R,2S)-1,2-Dihydroxy-1,2-dihydrobenz[a]anthracene
CAS: 39574-16-8
| Molecular Formula | C6H9NO2S |
|---|---|
| Molecular Weight | 159.0354 g/mol |
| LogP | 1.0408 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.0354 |
| Monoisotopic Mass | 159.0354 |
| Heavy Atoms | 10 |
| Complexity | 163.13075 |
Chemical Identifiers
| CAS Number | 39574-16-8 |
|---|---|
| SMILES | CCOC(=O)[C@H](C)N=C=S |
Product Overview
ethyl (2S)-2-isothiocyanatopropanoate (CAS 39574-16-8), with molecular formula C6H9NO2S and molecular weight 159.0354 g/mol. IUPAC: ethyl (2S)-2-isothiocyanatopropanoate.
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.
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