Tert-butyl thiocyanatoacetate
tert-butyl 2-thiocyanatoacetate
Also Known As: tert-butyl thiocyanatoacetate|tert-butyl 2-thiocyanatoacetate|TERT-BUTYL 2-(CYANOSULFANYL)ACETATE|tert-Butyl (thiocyanato)acetate|2-Thiocyanatoacetic acid tert-butyl ester|J2.642.764I|THIOCYANATOACETIC ACID, TERT-BUTYL ESTER
CAS: 41894-76-2
| Molecular Formula | C7H11NO2S |
|---|---|
| Molecular Weight | 173.05106 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.05106 |
| Monoisotopic Mass | 173.05106 |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 41894-76-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC#N |
| InChIKey | MDKSOTHDHUOCOC-UHFFFAOYSA-N |
Product Overview
Tert-butyl thiocyanatoacetate (CAS 41894-76-2), with molecular formula C7H11NO2S and molecular weight 173.05106 g/mol. IUPAC: tert-butyl 2-thiocyanatoacetate.
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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