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Home > Pyridines > 157798-39-5
157798-39-5 | Pyridine, 2,2'-[[1,1'-biphenyl]-2,2'-diylbis(thiomethylene)]bis- (9CI)
CAS No: 157798-39-5 Catalog No: AG001POW MDL No:
Product Description
Catalog Number:
AG001POW
Chemical Name:
Pyridine, 2,2'-[[1,1'-biphenyl]-2,2'-diylbis(thiomethylene)]bis- (9CI)
CAS Number:
157798-39-5
Molecular Formula:
C24H20N2S2
Molecular Weight:
400.5590
IUPAC Name:
2-[[2-[2-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]sulfanylmethyl]pyridine
InChI:
InChI=1S/C24H20N2S2/c1-3-13-23(27-17-19-9-5-7-15-25-19)21(11-1)22-12-2-4-14-24(22)28-18-20-10-6-8-16-26-20/h1-16H,17-18H2
InChI Key:
MOKSWAAFRFZKSW-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)CSc1ccccc1c1ccccc1SCc1ccccn1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.107g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.558g/mol
Monoisotopic Mass:
400.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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