Basic information
- CAS
3798-86-5- Standard SMILES
Fc1ccccc1CSc1ncnc2nc[nH]c12- InChIKey
ZTWLCYDGHGMYOS-UHFFFAOYSA-N- Molecular formula
- C12H9FN4S
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.05319564
Names & identifiers
- Preferred name
- Purine, 6-((o-fluorobenzyl)thio)-
- IUPAC
- 6-[(2-fluorophenyl)methylsulfanyl]-7H-purine
Names & synonyms
6-((o-Fluorobenzyl)thio)purine3798-86-5Purine, 6-((o-fluorobenzyl)thio)-NSC 18401BRN 0026523AI3-50237Purine, 6-[(o-fluorobenzyl)thio]-DTXSID001914071H-Purine, 6-(((2-fluorophenyl)methyl)thio)-4-26-00-01986 (Beilstein Handbook Reference)RefChem:177295DTXCID70113898
Show more names
6-((2-Fluorobenzyl)thio)-7H-purinePurine, 6-(o-fluorobenzylthio)-NSC18401NSC-18401AKOS003931253DS-0057836-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-7H-PURINE
Database identifiers
- CAS
3798-86-5- PubChem CID
- 95110
- DTXSID
DTXSID00191407
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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