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155055-76-8 | 2,2'-Bithiophene, 4,4'-bis(pentyloxy)-
CAS No: 155055-76-8 Catalog No: AG001NKO MDL No:
Product Description
Catalog Number:
AG001NKO
Chemical Name:
2,2'-Bithiophene, 4,4'-bis(pentyloxy)-
CAS Number:
155055-76-8
Molecular Formula:
C18H26O2S2
Molecular Weight:
338.5278
IUPAC Name:
4-pentoxy-2-(4-pentoxythiophen-2-yl)thiophene
InChI:
InChI=1S/C18H26O2S2/c1-3-5-7-9-19-15-11-17(21-13-15)18-12-16(14-22-18)20-10-8-6-4-2/h11-14H,3-10H2,1-2H3
InChI Key:
QOGTYOGLBCPQLG-UHFFFAOYSA-N
SMILES:
CCCCCOc1csc(c1)c1scc(c1)OCCCCC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.524g/mol
Monoisotopic Mass:
338.137g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
Literature
| Title | Journal |
|---|---|
| Structure and dynamics of the triplet state of oligothiophenes in isotropic and partially oriented matrices. | Physical chemistry chemical physics : PCCP 20050807 |
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