6-Methyl-d3-mercaptopurine

• Catalog Number: ACM33312935
• Product Name: 6-Methyl-d3-mercaptopurine
• CAS: 33312-93-5
• Category: Heterocyclic Organic Compound
• Synonyms: 6-Methylmercaptopurine-d3; 6-(Methylthio)-9H-purine-d3
• IUPAC Name: 6-(trideuteriomethylsulfanyl)-7H-purine
• Molecular Weight: 169.22
• Molecular Formula: C₆H₃D₃N₄S
• Canonical SMILES: CSC1=NC=NC2=C1NC=N2
• InChI: InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)/i1D3
• InChI Key: UIJIQXGRFSPYQW-FIBGUPNXSA-N
• Melting Point: 218-220 °C
• Appearance: White solid
• Exact Mass: 169.05000
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Isomeric SMILES: [2H]C([2H])([2H])SC1=NC=NC2=C1NC=N2
• Stability: Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
• Storage Conditions: Store refrigerated