2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine
Basic information
- CAS
646509-48-0- Standard SMILES
Cc1ccccc1Sc1nc(Cl)nc2nc[nH]c12- InChIKey
HOEALLFXKCCTSU-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4S
- Average molar mass
- 276.75 g/mol
- Monoisotopic mass
- 276.0236452
Names & identifiers
- Preferred name
- 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine
- IUPAC
- 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine
Names & synonyms
646509-48-02-Chloro-6-(o-tolylthio)-1H-purine2-chloro-6-(2-methylphenyl)sulfanyl-7H-purineCHEMBL367946DTXSID103336192-chloro-6-(o-tolylsulfanyl)-9H-purine2-Chloro-6-[(2-methylphenyl)sulfanyl]-7H-purine9H-Purine, 2-chloro-6-[(2-methylphenyl)thio]-
Database identifiers
- CAS
646509-48-0- PubChem CID
- 514787
- DTXSID
DTXSID10333619- ChEMBL
CHEMBL367946
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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