3,3-Dimethylbut-1-yn-1-yl thiocyanate
3,3-dimethylbut-1-ynyl thiocyanate
Also Known As: 3,3-dimethyl-1-butynyl thiocyanate|3,3-dimethylbut-1-ynyl thiocyanate|3,3-dimethylbut-1-yn-1-yl thiocyanate|thiocyanic acid, 3,3-dimethyl-1-butynyl ester
CAS: 38341-89-8
| Molecular Formula | C7H9NS |
|---|---|
| Molecular Weight | 139.04558 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.04558 |
| Monoisotopic Mass | 139.04558 |
| Heavy Atoms | 9 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 38341-89-8 |
|---|---|
| SMILES | CC(C)(C)C#CSC#N |
| InChIKey | FREFNUILOBIADH-UHFFFAOYSA-N |
Product Overview
3,3-Dimethylbut-1-yn-1-yl thiocyanate (CAS 38341-89-8), with molecular formula C7H9NS and molecular weight 139.04558 g/mol. IUPAC: 3,3-dimethylbut-1-ynyl thiocyanate.
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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