6-(2-chlorophenyl)sulfanyl-7H-purine
Basic information
- CAS
646510-10-3- Standard SMILES
Clc1ccccc1Sc1ncnc2nc[nH]c12- InChIKey
FGOSRPMQOHPJIR-UHFFFAOYSA-N- Molecular formula
- C11H7ClN4S
- Average molar mass
- 262.72 g/mol
- Monoisotopic mass
- 262.0079951
Names & identifiers
- Preferred name
- 6-(2-chlorophenyl)sulfanyl-7H-purine
- IUPAC
- 6-(2-chlorophenyl)sulfanyl-7H-purine
Names & synonyms
646510-10-36-((2-Chlorophenyl)thio)-1H-purine6-(2-chlorophenyl)sulfanyl-7H-purine6-(2-Chlorobenzenethio)purineSCHEMBL6424878DTXSID203329516-(2-chlorophenyl)sulfanyl-9H-purine6-[(2-Chlorophenyl)sulfanyl]-7H-purine
Database identifiers
- CAS
646510-10-3- PubChem CID
- 472985
- DTXSID
DTXSID20332951
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…