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113728-71-5 | 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-Octithiophene
CAS No: 113728-71-5 Catalog No: AG0009HB MDL No:
Product Description
Catalog Number:
AG0009HB
Chemical Name:
2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-Octithiophene
CAS Number:
113728-71-5
Molecular Formula:
C32H18S8
Molecular Weight:
659.0053
IUPAC Name:
2-thiophen-2-yl-5-[5-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
InChI:
InChI=1S/C32H18S8/c1-3-19(33-17-1)21-5-7-23(35-21)25-9-11-27(37-25)29-13-15-31(39-29)32-16-14-30(40-32)28-12-10-26(38-28)24-8-6-22(36-24)20-4-2-18-34-20/h1-18H
InChI Key:
GCMCTPRNKVKGCY-UHFFFAOYSA-N
SMILES:
c1csc(c1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1cccs1
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
657.917g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
658.976g/mol
Monoisotopic Mass:
657.917g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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