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83805-52-1 | Benzo[f]quinoline, 1-methyl-3-(phenylthio)-
CAS No: 83805-52-1 Catalog No: AG004WKF MDL No:
Product Description
Catalog Number:
AG004WKF
Chemical Name:
Benzo[f]quinoline, 1-methyl-3-(phenylthio)-
CAS Number:
83805-52-1
Molecular Formula:
C20H15NS
Molecular Weight:
301.4048
IUPAC Name:
1-methyl-3-phenylsulfanylbenzo[f]quinoline
InChI:
InChI=1S/C20H15NS/c1-14-13-19(22-16-8-3-2-4-9-16)21-18-12-11-15-7-5-6-10-17(15)20(14)18/h2-13H,1H3
InChI Key:
NKDWEFNSPDDECM-UHFFFAOYSA-N
SMILES:
Cc1cc(Sc2ccccc2)nc2c1c1ccccc1cc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.407g/mol
Monoisotopic Mass:
301.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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