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114625-84-2 | Quinoline, 8,8'-[1,4-butanediylbis(thio)]bis-
CAS No: 114625-84-2 Catalog No: AG000EVF MDL No:
Product Description
Catalog Number:
AG000EVF
Chemical Name:
Quinoline, 8,8'-[1,4-butanediylbis(thio)]bis-
CAS Number:
114625-84-2
Molecular Formula:
C22H20N2S2
Molecular Weight:
376.5376
IUPAC Name:
8-(4-quinolin-8-ylsulfanylbutylsulfanyl)quinoline
InChI:
InChI=1S/C22H20N2S2/c1(15-25-19-11-3-7-17-9-5-13-23-21(17)19)2-16-26-20-12-4-8-18-10-6-14-24-22(18)20/h3-14H,1-2,15-16H2
InChI Key:
FXCBXKUDPBBULK-UHFFFAOYSA-N
SMILES:
C(CSc1cccc2c1nccc2)CCSc1cccc2c1nccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.107g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.536g/mol
Monoisotopic Mass:
376.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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