Purine, 6-((p-fluorobenzyl)thio)-
Basic information
- CAS
3798-88-7- Standard SMILES
Fc1ccc(CSc2ncnc3nc[nH]c23)cc1- InChIKey
KKAXVTODRVIGGR-UHFFFAOYSA-N- Molecular formula
- C12H9FN4S
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.05319564
Names & identifiers
- Preferred name
- Purine, 6-((p-fluorobenzyl)thio)-
- IUPAC
- 6-[(4-fluorophenyl)methylsulfanyl]-7H-purine
Names & synonyms
Purine, 6-((p-fluorobenzyl)thio)-3798-88-76-((p-Fluorobenzyl)thio)purinePurine, 6-[(p-fluorobenzyl)thio]-NSC 18399BRN 0025027AI3-502351H-Purine, 6-(((4-fluorophenyl)methyl)thio)-Oprea1_240913MLS000101256CHEMBL175451SCHEMBL6661284
Show more names
DTXSID60191408HMS2251H18HMS3468H11NSC18399NSC-18399STK9446486-[(4-fluorophenyl)methylthio]purineAKOS002326826
Database identifiers
- CAS
3798-88-7- PubChem CID
- 95108
- DTXSID
DTXSID60191408- ChEMBL
CHEMBL175451
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
- 273
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…