chempirical

Azathioprine

C9H7N7O2SCAS 446-86-6277.26 g/mol

Open in Covalent MOL file
NNN+OO−SNNNHN
NitroSulfide

Properties

Molecular formula
C9H7N7O2S
Molar mass
277.26 g/mol
Exact mass
277.0382 Da
Melting point
243.5 °C
logP
1.15Crippen estimate
Polar surface area
115.4 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
3

Identifiers

CAS number
446-86-6
SMILES
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12
InChIKey
LMEKQMALGUDUQG-UHFFFAOYSA-N
InChI
InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)

Weigh it out

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

Names and synonyms

20 names · show all
  • 9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
  • Purine, 6-[(1-methyl-4-nitroimidazol-5-yl)thio]-
  • 1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
  • 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine
  • NSC 39084
  • Azothioprine
  • Imuran
  • 6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine
  • 6-(1-Methyl-4-nitromidazol-5-ylthio)purine
  • Muran
  • BW 57-322
  • Imurel
  • Imurek
  • Azathioprin
  • Azanin
  • Azoran
  • Azamune
  • Azathropine
  • Azafor
  • Azasan

Work with Azathioprine

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

5-Chloro-1-methyl-4-nitroimidazole4897-25-042 % similar 6-Methylmercaptopurine50-66-842 % similar 6-Methoxy-9H-purine1074-89-131 % similar 5-Methyl-4-nitroimidazole14003-66-831 % similar 6-Dmap938-55-631 % similar 6-Mercaptopurine50-44-231 % similar Hypoxanthine68-94-031 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook