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1146182-96-8

1146182-96-8 | 2,2'-Bipyridine, 4,4'-bis[5-(hexylthio)-2-thienyl]-

CAS No: 1146182-96-8 Catalog No: AG000EUE MDL No:

Product Description

Catalog Number:
AG000EUE
Chemical Name:
2,2'-Bipyridine, 4,4'-bis[5-(hexylthio)-2-thienyl]-
CAS Number:
1146182-96-8
Molecular Formula:
C30H36N2S4
Molecular Weight:
552.8802
IUPAC Name:
4-(5-hexylsulfanylthiophen-2-yl)-2-[4-(5-hexylsulfanylthiophen-2-yl)pyridin-2-yl]pyridine
InChI:
InChI=1S/C30H36N2S4/c1-3-5-7-9-19-33-29-13-11-27(35-29)23-15-17-31-25(21-23)26-22-24(16-18-32-26)28-12-14-30(36-28)34-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3
InChI Key:
DBNHCHNTHIFIQN-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ccc(s1)c1ccnc(c1)c1nccc(c1)c1ccc(s1)SCCCCCC

Properties

Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.176g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
552.872g/mol
Monoisotopic Mass:
552.176g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5  

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