2-chloro-6-(4-methylphenyl)sulfanyl-7H-purine
Basic information
- CAS
646510-40-9- Standard SMILES
Cc1ccc(Sc2nc(Cl)nc3nc[nH]c23)cc1- InChIKey
SPVWUFZSYZRMAW-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4S
- Average molar mass
- 276.75 g/mol
- Monoisotopic mass
- 276.0236452
Names & identifiers
- Preferred name
- 2-chloro-6-(4-methylphenyl)sulfanyl-7H-purine
- IUPAC
- 2-chloro-6-(4-methylphenyl)sulfanyl-7H-purine
Names & synonyms
646510-40-92-Chloro-6-(p-tolylthio)-1H-purine2-chloro-6-(4-methylphenyl)sulfanyl-7H-purineDTXSID603336242-chloro-6-(p-tolylsulfanyl)-9H-purine2-Chloro-6-[(4-methylphenyl)sulfanyl]-7H-purine9H-Purine, 2-chloro-6-[(4-methylphenyl)thio]-
Database identifiers
- CAS
646510-40-9- PubChem CID
- 514796
- DTXSID
DTXSID60333624
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
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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