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188679-91-6 | Pyridine, 2,2'-(dithiodi-2,1-phenylene)bis- (9CI)
CAS No: 188679-91-6 Catalog No: AG002H59 MDL No:
Product Description
Catalog Number:
AG002H59
Chemical Name:
Pyridine, 2,2'-(dithiodi-2,1-phenylene)bis- (9CI)
CAS Number:
188679-91-6
Molecular Formula:
C22H16N2S2
Molecular Weight:
372.5058
IUPAC Name:
2-[2-[(2-pyridin-2-ylphenyl)disulfanyl]phenyl]pyridine
InChI:
InChI=1S/C22H16N2S2/c1-3-13-21(17(9-1)19-11-5-7-15-23-19)25-26-22-14-4-2-10-18(22)20-12-6-8-16-24-20/h1-16H
InChI Key:
WOFWHCTUSNBOBJ-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1ccccc1SSc1ccccc1c1ccccn1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.504g/mol
Monoisotopic Mass:
372.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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