Purine, 6-(m-fluorobenzylthio)-
Basic information
- CAS
73972-54-0- Standard SMILES
Fc1cccc(CSc2ncnc3nc[nH]c23)c1- InChIKey
VBRFYTXQKPWMEZ-UHFFFAOYSA-N- Molecular formula
- C12H9FN4S
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.05319564
Names & identifiers
- Preferred name
- Purine, 6-(m-fluorobenzylthio)-
- IUPAC
- 6-[(3-fluorophenyl)methylsulfanyl]-7H-purine
- English name
- 6-(m-Fluorobenzylthio)-1H-purine
- Molecular formula
- C12H9FN4S
- Molecular weight
- 260.29
Names & synonyms
Purine, 6-(m-fluorobenzylthio)-73972-54-06-(m-Fluorobenzylthio)purineDTXSID10224715RefChem:1097166DTXCID401472066-(m-Fluorobenzylthio)-1H-purineCHEMBL47584301H-Purine, 6-(((3-fluorophenyl)methyl)thio)-1H-Purine, 6-[[(3-fluorophenyl)methyl]thio]-NSC 18400BRN 0088327
Show more names
9H-Purine, 6-[[(3-fluorophenyl)methyl]thio]-
A1BJ2Oprea1_856111IFLab1_002325HMS1418J15HMS3468D11NSC18400BDBM50562395NSC-18400
Database identifiers
- CAS
73972-54-0- PubChem CID
- 95109
- DTXSID
DTXSID10224715- ChEMBL
CHEMBL4758430- Nikkaji
- J113.496E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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