6-(Benzylthiomethyl)-5h-purine
6-(benzylsulfanylmethyl)-5H-purine
Also Known As: 6-(benzylthiomethyl)-5h-purine|6-(benzylsulfanylmethyl)-5H-purine
CAS: 3496-22-8
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.07828 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.07828 |
| Monoisotopic Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 3496-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=NC=NC3=NC=NC23 |
| InChIKey | QWAQQVNQRVCKDQ-UHFFFAOYSA-N |
Product Overview
6-(Benzylthiomethyl)-5h-purine (CAS 3496-22-8), with molecular formula C13H12N4S and molecular weight 256.07828 g/mol. IUPAC: 6-(benzylsulfanylmethyl)-5H-purine.
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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