8-(4-Methylphenylthio)-5-nitroquinoline
Basic information
- CAS
38543-77-0- Standard SMILES
Cc1ccc(Sc2ccc([N+](=O)[O-])c3cccnc23)cc1- InChIKey
UBBPYKIWIKZAFD-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2S
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.0619488
Names & identifiers
- Preferred name
- 8-(4-Methylphenylthio)-5-nitroquinoline
- IUPAC
- 8-(4-methylphenyl)sulfanyl-5-nitroquinoline
Names & synonyms
8-(4-Methylphenylthio)-5-nitroquinolineDTXSID4012692555-nitro-8-(p-tolylsulfanyl)quinolineAKOS03402820738543-77-08-[(4-Methylphenyl)thio]-5-nitroquinoline5-Nitro-8-quinolyl-(4'-methylphenyl)sulfide8-[(4-methylphenyl)sulfanyl]-5-nitroquinolineAB00992462-01Z278096142
Database identifiers
- CAS
38543-77-0- PubChem CID
- 487268
- DTXSID
DTXSID401269255
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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