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111181-05-6 | Quinoline, 2,2'-[dithiobis(1,1-dimethyl-2,1-ethanediyl)]bis-
CAS No: 111181-05-6 Catalog No: AG0082VO MDL No:
Product Description
Catalog Number:
AG0082VO
Chemical Name:
Quinoline, 2,2'-[dithiobis(1,1-dimethyl-2,1-ethanediyl)]bis-
CAS Number:
111181-05-6
Molecular Formula:
C26H28N2S2
Molecular Weight:
432.6439
IUPAC Name:
2-[2-methyl-1-[(2-methyl-2-quinolin-2-ylpropyl)disulfanyl]propan-2-yl]quinoline
InChI:
InChI=1S/C26H28N2S2/c1-25(2,23-15-13-19-9-5-7-11-21(19)27-23)17-29-30-18-26(3,4)24-16-14-20-10-6-8-12-22(20)28-24/h5-16H,17-18H2,1-4H3
InChI Key:
USTQCKOVKKPSKZ-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(n1)cccc2)(CSSCC(c1ccc2c(n1)cccc2)(C)C)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.169g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.644g/mol
Monoisotopic Mass:
432.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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