1-Isothiocyanato-2,2-dimethylpropane
1-isothiocyanato-2,2-dimethylpropane
Also Known As: 1-Isothiocyanato-2,2-dimethylpropane|Neopentyl isothiocyanate|Butane,2-isothiocyanato-2-methyl-|1-Isothiocyanato-2,2-dimethylpropane #|1-ISOTHIOCYANATO-2,2-DIMETHYL PROPANE|878-487-1
CAS: 597-97-7
| Molecular Formula | CC(C)(C)CN=C=S |
|---|---|
| Molecular Weight | 129.06122 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.06122 |
| Monoisotopic Mass | 129.06122 |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 597-97-7 |
|---|---|
| SMILES | CC(C)(C)CN=C=S |
| InChIKey | RNMOLQDSODXHBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (9 patents)
Organic Building Blocks (5 patents)
Peptides & Amino Acids (2 patents)
Pharmaceutical Intermediates (7 patents)
Product Overview
1-Isothiocyanato-2,2-dimethylpropane (CAS 597-97-7), with molecular formula CC(C)(C)CN=C=S and molecular weight 129.06122 g/mol. IUPAC: 1-isothiocyanato-2,2-dimethylpropane.
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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