Methyl 2-isothiocyanatobutanoate
methyl 2-isothiocyanatobutanoate
Also Known As: Methyl DL-2-isothiocyanatobutyrate|methyl 2-isothiocyanatobutanoate|FS-4881|2-Isothiocyanatobutanoic acid methyl ester|J2.452.001C
CAS: 68693-53-8
| 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 | 68693-53-8 |
|---|---|
| SMILES | CCC(C(=O)OC)N=C=S |
Product Overview
Methyl 2-isothiocyanatobutanoate (CAS 68693-53-8), with molecular formula C6H9NO2S and molecular weight 159.0354 g/mol. IUPAC: methyl 2-isothiocyanatobutanoate.
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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