![9-[(3-nitrophenyl)methyl]-3H-purine-6-thione structure](/static/products/6945/6945-06-8.webp)
9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
Also Known As: NCIOpen2_002515|9-[(3-nitrophenyl)methyl]-3H-purine-6-thione|9-[(3-Nitrophenyl)methyl]-3,9-dihydro-6H-purine-6-thione
CAS: 6945-06-8
| Molecular Formula | C12H9N5O2S |
|---|---|
| Molecular Weight | 287.0477 g/mol |
| LogP | 2.44539 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0477 |
| Monoisotopic Mass | 287.0477 |
| Heavy Atoms | 20 |
| Complexity | 854.175 |
Chemical Identifiers
| CAS Number | 6945-06-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2NC=NC3=S |
Product Overview
9-[(3-nitrophenyl)methyl]-3H-purine-6-thione (CAS 6945-06-8), with molecular formula C12H9N5O2S and molecular weight 287.0477 g/mol. IUPAC: 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione.
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-[(3-nitrophenyl)methyl]-3H-purine-6-thione is a custom synthesis product. We offer services from milligram to kilogram scale.
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