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194919-79-4 | 2,2'-Bipyridine, 6,6''-(dithiodi-2,1-phenylene)bis-
CAS No: 194919-79-4 Catalog No: AG007RF0 MDL No:
Product Description
Catalog Number:
AG007RF0
Chemical Name:
2,2'-Bipyridine, 6,6''-(dithiodi-2,1-phenylene)bis-
CAS Number:
194919-79-4
Molecular Formula:
C32H22N4S2
Molecular Weight:
526.6739
IUPAC Name:
2-pyridin-2-yl-6-[2-[[2-(6-pyridin-2-ylpyridin-2-yl)phenyl]disulfanyl]phenyl]pyridine
InChI:
InChI=1S/C32H22N4S2/c1-3-19-31(23(11-1)25-15-9-17-29(35-25)27-13-5-7-21-33-27)37-38-32-20-4-2-12-24(32)26-16-10-18-30(36-26)28-14-6-8-22-34-28/h1-22H
InChI Key:
UMJYGFOBYAMAIT-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1cccc(n1)c1ccccc1SSc1ccccc1c1cccc(n1)c1ccccn1
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.129g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
526.676g/mol
Monoisotopic Mass:
526.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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