2-Butene, 1-isothiocyanato-
1-isothiocyanatobut-2-ene
Also Known As: crotylisothiocyanate|2-Butene, 1-isothiocyanato-|2-Butene,1-isothiocyanato|1-ISOTHIOCYANATOBUT-2-ENE|Isothiocyanic acid, 2-butenyl ester
CAS: 2253-93-2
| Molecular Formula | C5H7NS |
|---|---|
| Molecular Weight | 113.02992 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.02992 |
| Monoisotopic Mass | 113.02992 |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 2253-93-2 |
|---|---|
| SMILES | CC=CCN=C=S |
| InChIKey | UGEDVXMHNFVZKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (2 patents)
Heterocyclic Building Blocks (2 patents)
Product Overview
2-Butene, 1-isothiocyanato- (CAS 2253-93-2), with molecular formula C5H7NS and molecular weight 113.02992 g/mol. IUPAC: 1-isothiocyanatobut-2-ene.
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 →
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