2-Hydroxy-7,9-dihydro-8H-purine-8-thione
8-sulfanylidene-7,9-dihydro-3H-purin-2-one
Also Known As: mercaptopurinol|2-Hydroxy-7,9-dihydro-8H-purine-8-thione|NCIOpen2_000602|8-sulfanylidene-7,9-dihydro-3H-purin-2-one|2-hydroxy-7,9-dihydropurine-8-thione|2H-Purin-2-one,3,7,8,9-tetrahydro-8-thioxo-|2H-Purin-2-one, 3,7,8,9-tetrahydro-8-thioxo-|8-Sulfanylidene-3,7,8,9-tetrahydro-2H-purin-2-one
CAS: 6956-26-9
| Molecular Formula | C5H4N4OS |
|---|---|
| Molecular Weight | 168.01057 g/mol |
| LogP | 0.30879 |
| Topological Polar Surface Area | 77.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.01057 |
| Monoisotopic Mass | 168.01057 |
| Heavy Atoms | 11 |
| Complexity | 490.642 |
Chemical Identifiers
| CAS Number | 6956-26-9 |
|---|---|
| SMILES | C1=NC(=O)NC2=C1NC(=S)N2 |
Product Overview
2-Hydroxy-7,9-dihydro-8H-purine-8-thione (CAS 6956-26-9), with molecular formula C5H4N4OS and molecular weight 168.01057 g/mol. IUPAC: 8-sulfanylidene-7,9-dihydro-3H-purin-2-one.
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 →
2-Hydroxy-7,9-dihydro-8H-purine-8-thione is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »