2-fluoro-6-methylsulfanyl-7H-purine
Basic information
- CAS
653-99-6- Standard SMILES
CSc1nc(F)nc2nc[nH]c12- InChIKey
ZWTOUWDBQXZJIT-UHFFFAOYSA-N- Molecular formula
- C6H5FN4S
- Average molar mass
- 184.2 g/mol
- Monoisotopic mass
- 184.02189551
Names & identifiers
- Preferred name
- 2-fluoro-6-methylsulfanyl-7H-purine
- IUPAC
- 2-fluoro-6-methylsulfanyl-7H-purine
Names & synonyms
653-99-62-fluoro-6-methylsulfanyl-7H-purineSCHEMBL130532DTXSID20404844NSC23078NSC-230782-Fluoro-6-(methylsulfanyl)-7H-purine
Database identifiers
- CAS
653-99-6- PubChem CID
- 4610107
- DTXSID
DTXSID20404844
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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