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91234-72-9 | Quinoline, 5-methyl-8-[(7-methyl-8-quinolinyl)dithio]-
CAS No: 91234-72-9 Catalog No: AG006PFQ MDL No:
Product Description
Catalog Number:
AG006PFQ
Chemical Name:
Quinoline, 5-methyl-8-[(7-methyl-8-quinolinyl)dithio]-
CAS Number:
91234-72-9
Molecular Formula:
C20H16N2S2
Molecular Weight:
348.4844
IUPAC Name:
5-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline
InChI:
InChI=1S/C20H16N2S2/c1-13-8-10-17(19-16(13)6-4-12-22-19)23-24-20-14(2)7-9-15-5-3-11-21-18(15)20/h3-12H,1-2H3
InChI Key:
FTMYBKIWHKZDEV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1SSc1ccc(c3c1nccc3)C)nccc2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.482g/mol
Monoisotopic Mass:
348.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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