Basic information
- CAS
139243-95-1- Standard SMILES
CSc1nc(Br)nc2nc[nH]c12- InChIKey
BNWRWPKXRAJBIQ-UHFFFAOYSA-N- Molecular formula
- C6H5BrN4S
- Average molar mass
- 245.1 g/mol
- Monoisotopic mass
- 243.94183
Names & identifiers
- Preferred name
- 2-Bromo-6-(methylsulfanyl)-7H-purine
- IUPAC
- 2-bromo-6-methylsulfanyl-7H-purine
Names & synonyms
139243-95-12-Bromo-6-(methylthio)-1H-purine2-Bromo-6-(methylsulfanyl)-7H-purineDTXSID80577684
Database identifiers
- CAS
139243-95-1- PubChem CID
- 15736166
- DTXSID
DTXSID80577684
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- 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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