chempirical

6-Methylmercaptopurine

C6H6N4SCAS 50-66-8166.20 g/mol

Open in Covalent MOL file
SNNNHN
Sulfide

Properties

Molecular formula
C6H6N4S
Molar mass
166.20 g/mol
Exact mass
166.0313 Da
Melting point
218–220 °C (decomposes)
logP
1.07Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
50-66-8
SMILES
CSc1ncnc2[nH]cnc12
InChIKey
UIJIQXGRFSPYQW-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 9H-Purine, 6-(methylthio)-
  • Purine, 6-(methylthio)-
  • 1H-Purine, 6-(methylthio)-
  • 6-(Methylthio)-9H-purine
  • 6-(Methylthio)purine
  • SQ 8343
  • S-Methyl-6-mercaptopurine
  • NSC 20105

Work with 6-Methylmercaptopurine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Methoxy-9H-purine1074-89-149 % similar 6-Dmap938-55-649 % similar 6-Mercaptopurine50-44-248 % similar Hypoxanthine68-94-048 % similar 6-Hydrazinyl-9H-purine5404-86-446 % similar 6-Mercaptopurine monohydrate6112-76-144 % similar Azathioprine446-86-642 % similar 2-Methyl-3-(methylthio)pyrazine2882-20-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook