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87393-53-1 | 3-(Phenylsulfanyl)quinoline
CAS No: 87393-53-1 Catalog No: AG01EY1J MDL No:
Product Description
Catalog Number:
AG01EY1J
Chemical Name:
3-(Phenylsulfanyl)quinoline
CAS Number:
87393-53-1
Molecular Formula:
C15H11NS
Molecular Weight:
237.3195
IUPAC Name:
3-phenylsulfanylquinoline
InChI:
InChI=1S/C15H11NS/c1-2-7-13(8-3-1)17-14-10-12-6-4-5-9-15(12)16-11-14/h1-11H
InChI Key:
TWIWOYAAGMEHAN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1cnc2c(c1)cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.32g/mol
Monoisotopic Mass:
237.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Optimization of 3-(phenylthio)quinolinium compounds against opportunistic fungal pathogens. | European journal of medicinal chemistry 20110501 |
| Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists. | Bioorganic & medicinal chemistry 20110115 |
| Benzothieno[3,2-b]quinolinium and 3-(phenylthio)quinolinium compounds: Synthesis and evaluation against opportunistic fungal pathogens. | Bioorganic & medicinal chemistry 20110101 |
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