6-(2,5-dimethylphenyl)sulfanyl-7H-purine
Basic information
- CAS
646510-18-1- Standard SMILES
Cc1ccc(C)c(Sc2ncnc3nc[nH]c23)c1- InChIKey
VMDKIBNXFJICGE-UHFFFAOYSA-N- Molecular formula
- C13H12N4S
- Average molar mass
- 256.33 g/mol
- Monoisotopic mass
- 256.07826757
Names & identifiers
- Preferred name
- 6-(2,5-dimethylphenyl)sulfanyl-7H-purine
- IUPAC
- 6-(2,5-dimethylphenyl)sulfanyl-7H-purine
Names & synonyms
6-(2,5-dimethylphenyl)sulfanyl-7H-purine646510-18-1DTXSID803329576-(2,5-Dimethylbenzenethio)purine6-(2,5-dimethylphenyl)sulfanyl-9H-purine6-[(2,5-Dimethylphenyl)sulfanyl]-7H-purine
Database identifiers
- CAS
646510-18-1- PubChem CID
- 472991
- DTXSID
DTXSID80332957
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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