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922725-75-5 | 2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene, 5,5''''-diiodo-
CAS No: 922725-75-5 Catalog No: AG0069S6 MDL No:
Product Description
Catalog Number:
AG0069S6
Chemical Name:
2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene, 5,5''''-diiodo-
CAS Number:
922725-75-5
Molecular Formula:
C20H10I2S5
Molecular Weight:
664.4273
IUPAC Name:
2,5-bis[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophene
InChI:
InChI=1S/C20H10I2S5/c21-19-9-7-17(26-19)15-5-3-13(24-15)11-1-2-12(23-11)14-4-6-16(25-14)18-8-10-20(22)27-18/h1-10H
InChI Key:
BXDPGVZWQVDQBG-UHFFFAOYSA-N
SMILES:
Ic1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)I
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
663.748g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
664.409g/mol
Monoisotopic Mass:
663.748g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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