9-Butyl-6-((4-nitrobenzyl)thio)-9H-purin-2-amine
9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purin-2-amine
Also Known As: 9-Butyl-6-((4-nitrobenzyl)thio)-9H-purin-2-amine|9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purin-2-amine|9-butyl-6-[(4-nitrobenzyl)sulfanyl]-9H-purin-2-amine|9-Butyl-6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-2-amine
CAS: 94093-92-2
| Molecular Formula | C16H18N6O2S |
|---|---|
| Molecular Weight | 358.1212 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1212 |
| Monoisotopic Mass | 358.1212 |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 94093-92-2 |
|---|---|
| SMILES | CCCCN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)[N+](=O)[O-])N |
| InChIKey | SUMJYTWKVHRDRL-UHFFFAOYSA-N |
Product Overview
9-Butyl-6-((4-nitrobenzyl)thio)-9H-purin-2-amine (CAS 94093-92-2), with molecular formula C16H18N6O2S and molecular weight 358.1212 g/mol. IUPAC: 9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purin-2-amine.
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 →
9-Butyl-6-((4-nitrobenzyl)thio)-9H-purin-2-amine is a custom synthesis product. We offer services from milligram to kilogram scale.
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