6-(4-chlorophenyl)sulfanyl-7H-purine
Basic information
- CAS
5457-98-7- Standard SMILES
Clc1ccc(Sc2ncnc3nc[nH]c23)cc1- InChIKey
SFALRJABXVXZCK-UHFFFAOYSA-N- Molecular formula
- C11H7ClN4S
- Average molar mass
- 262.72 g/mol
- Monoisotopic mass
- 262.0079951
Names & identifiers
- Preferred name
- 6-(4-chlorophenyl)sulfanyl-7H-purine
- IUPAC
- 6-(4-chlorophenyl)sulfanyl-7H-purine
Names & synonyms
5457-98-76-(4-chlorophenyl)sulfanyl-7H-purinePurine, 6-p-chlorophenylthio-CHEMBL367490DTXSID60332713NSC23915NSC-239156-(4-chlorophenyl)sulfanyl-9H-purine6-[(4-Chlorophenyl)sulfanyl]-7H-purine
Database identifiers
- CAS
5457-98-7- PubChem CID
- 459939
- DTXSID
DTXSID60332713- ChEMBL
CHEMBL367490
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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