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5660-45-7 | 2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene
CAS No: 5660-45-7 Catalog No: AG003F8Z MDL No:MFCD09038547
Product Description
Catalog Number:
AG003F8Z
Chemical Name:
2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene
CAS Number:
5660-45-7
Molecular Formula:
C20H12S5
Molecular Weight:
412.6343
MDL Number:
MFCD09038547
IUPAC Name:
2,5-bis(5-thiophen-2-ylthiophen-2-yl)thiophene
InChI:
InChI=1S/C20H12S5/c1-3-13(21-11-1)15-5-7-17(23-15)19-9-10-20(25-19)18-8-6-16(24-18)14-4-2-12-22-14/h1-12H
InChI Key:
YFBLUJZFRBFQMR-UHFFFAOYSA-N
SMILES:
c1csc(c1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1cccs1
NSC Number:
700150
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.954g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.616g/mol
Monoisotopic Mass:
411.954g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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