Basic information
- CAS
97746-12-8- Standard SMILES
Cc1nc([N+](=O)[O-])c(Sc2ncnc3nc[nH]c23)n1C- InChIKey
WZWQYDFRODCCDY-UHFFFAOYSA-N- Molecular formula
- C10H9N7O2S
- Average molar mass
- 291.29 g/mol
- Monoisotopic mass
- 291.05384373
Names & identifiers
- Preferred name
- Methazathioprine
- IUPAC
- 6-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
Names & synonyms
Methazathioprine97746-12-8MetazathioprineDTXSID20243230RefChem:156977DTXCID201657216-(1,2-Dimethyl-4-nitro-5-imidazolyl)thiopurineSCHEMBL14778631H-Purine, 6-((1,2-dimethyl-4-nitro-1H-imidazol-5-yl)thio)-PD1182876-[(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine
Database identifiers
- CAS
97746-12-8- PubChem CID
- 175771
- DTXSID
DTXSID20243230
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
LogP1.15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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