6-naphthalen-2-ylsulfanyl-7H-purine
Basic information
- CAS
5457-94-3- Standard SMILES
c1ccc2cc(Sc3ncnc4nc[nH]c34)ccc2c1- InChIKey
LCKMXCSENIFKIK-UHFFFAOYSA-N- Molecular formula
- C15H10N4S
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.06261751
Names & identifiers
- Preferred name
- 6-naphthalen-2-ylsulfanyl-7H-purine
- IUPAC
- 6-naphthalen-2-ylsulfanyl-7H-purine
Names & synonyms
5457-94-36-naphthalen-2-ylsulfanyl-7H-purinePurine, 6-(2-Naphthylthio)CHEMBL174227DTXSID003327126-(2-naphthylsulfanyl)-9H-purineNSC23910NSC-239106-[(Naphthalen-2-yl)sulfanyl]-7H-purine
Database identifiers
- CAS
5457-94-3- PubChem CID
- 459938
- DTXSID
DTXSID00332712- ChEMBL
CHEMBL174227
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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