Cas no 33312-93-5 (6-Methylmercaptopurine-d3)

6-Methylmercaptopurine-d3 structure
6-Methylmercaptopurine-d3 structure
Product Name:6-Methylmercaptopurine-d3
CAS No:33312-93-5
MF:C6H6N4S
MW:169.222123622894
CID:917830
PubChem ID:71750429
Update Time:2025-04-19

6-Methylmercaptopurine-d3 Chemical and Physical Properties

Names and Identifiers

    • 6-methyl-d3-mercaptopurine
    • 6-Methylmercaptopurine-d3
    • 6-Methylmercaptopuri
    • 6-(trideuteriomethylsulfanyl)-7H-purine
    • 6-(Methylthio)purine-d3-1
    • PD163981
    • CS-0564516
    • 33312-93-5
    • D99372
    • HY-W097453S2
    • DTXSID00858063
    • 6-[(~2~H_3_)Methylsulfanyl]-7H-purine
    • 6-[(?H?)methylsulfanyl]-7H-purine
    • 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
    • SMILES: S(C([2H])([2H])[2H])C1C2=C(N=CN=1)N=CN2

Computed Properties

  • Exact Mass: 169.05000
  • Monoisotopic Mass: 169.05014762g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 143
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 79.8?2

Experimental Properties

  • Melting Point: 218-220°C
  • PSA: 79.76000
  • LogP: 1.07480

6-Methylmercaptopurine-d3 Security Information

  • Storage Condition:0-6°C

6-Methylmercaptopurine-d3 Pricemore >>

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