7H-purin-6-ylmethyl thiocyanate
7H-purin-6-ylmethyl thiocyanate
Also Known As: 7H-purin-6-ylmethyl thiocyanate|6-(thiocyanatomethyl)-7H-purine|6-(thiocyanatomethyl)-5H-purine|(7H-Purin-6-yl)methyl thiocyanate|Thiocyanic acid, 9H-purin-6-ylmethyl ester
CAS: 3389-33-1
| Molecular Formula | C7H5N5S |
|---|---|
| Molecular Weight | 191.02657 g/mol |
| LogP | 1.06718 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.02657 |
| Monoisotopic Mass | 191.02657 |
| Heavy Atoms | 13 |
| Complexity | 457.096 |
Chemical Identifiers
| CAS Number | 3389-33-1 |
|---|---|
| SMILES | C1=NC2=NC=NC(=C2N1)CSC#N |
Product Overview
7H-purin-6-ylmethyl thiocyanate (CAS 3389-33-1), with molecular formula C7H5N5S and molecular weight 191.02657 g/mol. IUPAC: 7H-purin-6-ylmethyl 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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