Tert-butyl thiocyanate
tert-butyl thiocyanate
Also Known As: tert-butyl thiocyanate|t-butyl thiocyanate|tert-Butylthiocyanat|tert.-Butyl thiocyanate|2-methyl-2-thiocyanatopropane|(tert-butylsulfanyl)carbonitrile|2-THIOCYANATO-2-METHYLPROPANE|Thiocyanic acid 1,1-dimethylethyl ester
CAS: 37985-18-5
| Molecular Formula | C5H9NS |
|---|---|
| Molecular Weight | 115.04557 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.04557 |
| Monoisotopic Mass | 115.04557 |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 37985-18-5 |
|---|---|
| SMILES | CC(C)(C)SC#N |
| InChIKey | ABIKNLOWSFHUPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Catalysts (8 patents)
Heterocyclic Building Blocks (58 patents)
Organic Building Blocks (34 patents)
Pharmaceutical Intermediates (60 patents)
Polymer Intermediates (69 patents)
Product Overview
Tert-butyl thiocyanate (CAS 37985-18-5), with molecular formula C5H9NS and molecular weight 115.04557 g/mol. IUPAC: tert-butyl 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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