2-chloro-6-(3,4-dimethylphenyl)sulfanyl-7H-purine
Basic information
- CAS
646510-61-4- Standard SMILES
Cc1ccc(Sc2nc(Cl)nc3nc[nH]c23)cc1C- InChIKey
JXMUVLDJFLYHAD-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4S
- Average molar mass
- 290.77 g/mol
- Monoisotopic mass
- 290.0392952
Names & identifiers
- Preferred name
- 2-chloro-6-(3,4-dimethylphenyl)sulfanyl-7H-purine
- IUPAC
- 2-chloro-6-(3,4-dimethylphenyl)sulfanyl-7H-purine
Names & synonyms
646510-61-42-Chloro-6-((3,4-dimethylphenyl)thio)-1H-purine2-chloro-6-(3,4-dimethylphenyl)sulfanyl-7H-purineDTXSID003329146-(3,4-Dimethylbenzenethio)-2-chloropurine2-chloro-6-(3,4-dimethylphenyl)sulfanyl-9H-purine2-Chloro-6-[(3,4-dimethylphenyl)sulfanyl]-7H-purine
Database identifiers
- CAS
646510-61-4- PubChem CID
- 472941
- DTXSID
DTXSID00332914
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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