Basic information
- CAS
100549-76-6- Standard SMILES
Sc1ccc(Sc2ccccc2)c2cccnc12- InChIKey
JNBYBOMAZXKOKB-UHFFFAOYSA-N- Molecular formula
- C15H11NS2
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.0332917
Names & identifiers
- Preferred name
- 8-Quinolinethiol, 5-(phenylthio)-
- IUPAC
- 5-phenylsulfanylquinoline-8-thiol
Names & synonyms
100549-76-65-(Phenylthio)quinoline-8-thiol8-Quinolinethiol, 5-(phenylthio)-5-phenylsulfanylquinoline-8-thiolDTXSID405592045-(Phenylsulfanyl)quinoline-8-thiol
Database identifiers
- CAS
100549-76-6- PubChem CID
- 14345733
- DTXSID
DTXSID40559204
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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