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Home > Pyridines > 1190631-38-9
1190631-38-9 | 2,2'-Bipyridine, 4,4'-bis[5'-(hexylthio)[2,2'-bithiophen]-5-yl]-
CAS No: 1190631-38-9 Catalog No: AG000I4C MDL No:MFCD22124185
Product Description
Catalog Number:
AG000I4C
Chemical Name:
2,2'-Bipyridine, 4,4'-bis[5'-(hexylthio)[2,2'-bithiophen]-5-yl]-
CAS Number:
1190631-38-9
Molecular Formula:
C38H40N2S6
Molecular Weight:
717.1276
MDL Number:
MFCD22124185
IUPAC Name:
4-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]pyridin-2-yl]pyridine
InChI:
InChI=1S/C38H40N2S6/c1-3-5-7-9-23-41-37-17-15-35(45-37)33-13-11-31(43-33)27-19-21-39-29(25-27)30-26-28(20-22-40-30)32-12-14-34(44-32)36-16-18-38(46-36)42-24-10-8-6-4-2/h11-22,25-26H,3-10,23-24H2,1-2H3
InChI Key:
PVFSVOCKWIYZNG-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ccc(s1)c1ccc(s1)c1ccnc(c1)c1nccc(c1)c1ccc(s1)c1ccc(s1)SCCCCCC
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.152g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
717.112g/mol
Monoisotopic Mass:
716.152g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
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