3-Methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
3-methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
Also Known As: 8-mercapto-3-methylxanthine|3-methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione|8-Mercapto-3-methyl-3,7-dihydro-purine-2,6-dione|1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-3-methyl-8-thioxo-
CAS: 70404-40-9
| Molecular Formula | C6H6N4O2S |
|---|---|
| Molecular Weight | 198.02115 g/mol |
| LogP | -0.38751 |
| Topological Polar Surface Area | 86.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.02115 |
| Monoisotopic Mass | 198.02115 |
| Heavy Atoms | 13 |
| Complexity | 628.3473 |
Chemical Identifiers
| CAS Number | 70404-40-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC(=S)N2 |
Product Overview
3-Methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione (CAS 70404-40-9), with molecular formula C6H6N4O2S and molecular weight 198.02115 g/mol. IUPAC: 3-methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione.
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.
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3-Methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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