Thioxopurinone
2-sulfanylidene-7,9-dihydro-3H-purin-8-one
Also Known As: thioxopurinone|8-hydroxy-2-mercaptopurine|2-sulfanylidene-7,9-dihydro-3H-purin-8-one|8H-Purin-8-one, 1,2,3,7-tetrahydro-2-thioxo-|2-Sulfanylidene-2,3,7,9-tetrahydro-8H-purin-8-one
CAS: 89282-20-2
| 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 | 89282-20-2 |
|---|---|
| SMILES | C1=NC(=S)NC2=C1NC(=O)N2 |
Product Overview
Thioxopurinone (CAS 89282-20-2), with molecular formula C5H4N4OS and molecular weight 168.01057 g/mol. IUPAC: 2-sulfanylidene-7,9-dihydro-3H-purin-8-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 →
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