S-(2-phenylquinolin-3-yl) benzenecarbothioate
Basic information
- CAS
646450-27-3- Standard SMILES
O=C(Sc1cc2ccccc2nc1-c1ccccc1)c1ccccc1- InChIKey
SQWNPFWISWYPQG-UHFFFAOYSA-N- Molecular formula
- C22H15NOS
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.08743528
Names & identifiers
- Preferred name
- S-(2-phenylquinolin-3-yl) benzenecarbothioate
- IUPAC
- S-(2-phenylquinolin-3-yl) benzenecarbothioate
- English name
- Benzenecarbothioic acid, S-(2-phenyl-3-quinolinyl) ester
- Molecular formula
- C22H15NOS
- Molecular weight
- 341.43
Names & synonyms
646450-27-3S-(2-Phenylquinolin-3-yl) benzothioateS-(2-phenylquinolin-3-yl) benzenecarbothioateBenzenecarbothioic acid, S-(2-phenyl-3-quinolinyl) esterDTXSID20400088AKOS024344151S-(2-PHENYL-3-QUINOLINYL) BENZENECARBOTHIOATE
Database identifiers
- CAS
646450-27-3- PubChem CID
- 4160258
- DTXSID
DTXSID20400088- EC Number
- 140-402-4
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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