4-(Phenylsulfanyl)quinoline-3-carboxylic acid
Basic information
- CAS
88350-88-3- Standard SMILES
O=C(O)c1cnc2ccccc2c1Sc1ccccc1- InChIKey
KQTVYLFWVINJPD-UHFFFAOYSA-N- Molecular formula
- C16H11NO2S
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.05104977
Names & identifiers
- Preferred name
- 4-(Phenylsulfanyl)quinoline-3-carboxylic acid
- IUPAC
- 4-phenylsulfanylquinoline-3-carboxylic acid
Names & synonyms
88350-88-34-(Phenylthio)quinoline-3-carboxylic acid4-(Phenylsulfanyl)quinoline-3-carboxylic acidDTXSID50734186AKOS010594527
Database identifiers
- CAS
88350-88-3- PubChem CID
- 61339368
- DTXSID
DTXSID50734186
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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