2-Thioxanthine
2-sulfanylidene-3,7-dihydropurin-6-one
Also Known As: 2-Thioxanthine|6-Hydroxy-2-mercaptopurine|2-Thioxanthene|Thioxanthine|2-Thio-6-oxypurine|thioxanthin|2-Mercapto-6-hydroxypurine|Xanthine, 2-thio-|2-Mercaptohypoxanthine|Purine analog|2-Mercapto-9H-purin-6-ol|6-Hydroxypurine-2-thiol|2-Mercaptoxanthine|2-Thiohypoxanthine|2-Thio-6-oxopurine|2-sulfanylpurin-6-ol|2-Thioxo-2,3-dihydro-1H-purin-6(7H)-one|2-sulfanylhydropurin-6-one|6-Hydroxy-2-purinethiol|2-sulfanyl-1H-purin-6-ol|Xanthine, 2-thio- (VAN)|2-mercapto-1,9-dihydro-6H-purin-6-one|ACMC-209gf9|Hypoxanthine, 2-mercapto-|2-Mercapto-1H-purin-6-ol|2-Sulfanyl-9H-purin-6-ol|1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one|2-Mercapto-7H-purine-6-ol|2-Mercapto-9H-purine-6-ol|EINECS 219-636-7|2-sulfanylidene-3,7-dihydropurin-6-one
| 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 | 492.642 |
Chemical Identifiers
| CAS Number | 2487-40-3 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=O)NC(=S)N2 |
Product Overview
2-Thioxanthine (CAS 2487-40-3), with molecular formula C5H4N4OS and molecular weight 168.01057 g/mol. IUPAC: 2-sulfanylidene-3,7-dihydropurin-6-one.
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