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871507-88-9 | Thiophene, 2,2'-(1,4-phenylene)bis[5-octyl-
CAS No: 871507-88-9 Catalog No: AG004KIM MDL No:
Product Description
Catalog Number:
AG004KIM
Chemical Name:
Thiophene, 2,2'-(1,4-phenylene)bis[5-octyl-
CAS Number:
871507-88-9
Molecular Formula:
C30H42S2
Molecular Weight:
466.7845
IUPAC Name:
2-octyl-5-[4-(5-octylthiophen-2-yl)phenyl]thiophene
InChI:
InChI=1S/C30H42S2/c1-3-5-7-9-11-13-15-27-21-23-29(31-27)25-17-19-26(20-18-25)30-24-22-28(32-30)16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3
InChI Key:
COZMULYNQRYJQX-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(s1)c1ccc(cc1)c1ccc(s1)CCCCCCCC
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.273g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.786g/mol
Monoisotopic Mass:
466.273g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
Literature
| Title | Journal |
|---|---|
| A novel calamitic mesophase semiconductor with the fastest mobility of charged carriers: 1,4-di(5'-octyl-2'-thienyl)benzene. | Chemical communications (Cambridge, England) 20051114 |
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