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144432-75-7 | Quinoline, 2,2'-[1,2-ethanediylbis(thio-2,1-ethanediyl)]bis- (9CI)
CAS No: 144432-75-7 Catalog No: AG001JI5 MDL No:
Product Description
Catalog Number:
AG001JI5
Chemical Name:
Quinoline, 2,2'-[1,2-ethanediylbis(thio-2,1-ethanediyl)]bis- (9CI)
CAS Number:
144432-75-7
Molecular Formula:
C24H24N2S2
Molecular Weight:
404.5908
IUPAC Name:
2-[2-[2-(2-quinolin-2-ylethylsulfanyl)ethylsulfanyl]ethyl]quinoline
InChI:
InChI=1S/C24H24N2S2/c1-3-7-23-19(5-1)9-11-21(25-23)13-15-27-17-18-28-16-14-22-12-10-20-6-2-4-8-24(20)26-22/h1-12H,13-18H2
InChI Key:
XWUBVAAMIROTQA-UHFFFAOYSA-N
SMILES:
C(SCCc1ccc2c(n1)cccc2)CSCCc1ccc2c(n1)cccc2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.59g/mol
Monoisotopic Mass:
404.138g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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