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22190-12-1 | 2-(Phenylthio)quinoline
CAS No: 22190-12-1 Catalog No: AG003F45 MDL No:MFCD00051344
Product Description
Catalog Number:
AG003F45
Chemical Name:
2-(Phenylthio)quinoline
CAS Number:
22190-12-1
Molecular Formula:
C15H11NS
Molecular Weight:
237.3195
MDL Number:
MFCD00051344
IUPAC Name:
2-phenylsulfanylquinoline
InChI:
InChI=1S/C15H11NS/c1-2-7-13(8-3-1)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-11H
InChI Key:
BCOSVBKPHCKEII-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1ccc2c(n1)cccc2
EC Number:
244-828-2
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 |
|---|---|
| Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists. | Bioorganic & medicinal chemistry 20110115 |
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