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Home > Other Building Blocks > 132814-91-6
132814-91-6 | 2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-dihexyl-
CAS No: 132814-91-6 Catalog No: AG00117L MDL No:MFCD10567045
Product Description
Catalog Number:
AG00117L
Chemical Name:
2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-dihexyl-
CAS Number:
132814-91-6
Molecular Formula:
C28H34S4
Molecular Weight:
498.8296
MDL Number:
MFCD10567045
IUPAC Name:
2-(3-hexylthiophen-2-yl)-5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophene
InChI:
InChI=1S/C28H34S4/c1-3-5-7-9-11-21-17-19-29-27(21)25-15-13-23(31-25)24-14-16-26(32-24)28-22(18-20-30-28)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3
InChI Key:
MLDVGCCQHBDHDR-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccsc1c1ccc(s1)c1ccc(s1)c1sccc1CCCCCC
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.154g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.82g/mol
Monoisotopic Mass:
498.154g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
Literature
| Title | Journal |
|---|---|
| Substrate-induced varied conformation and molecular assemblies: in situ STM observation of beta-substituted oligothiophene adlayers on Au(111). | Langmuir : the ACS journal of surfaces and colloids 20100518 |
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