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147237-94-3 | 2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Sexithiophene, 5,5'''''-dimethyl-
CAS No: 147237-94-3 Catalog No: AG001ER3 MDL No:
Product Description
Catalog Number:
AG001ER3
Chemical Name:
2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Sexithiophene, 5,5'''''-dimethyl-
CAS Number:
147237-94-3
Molecular Formula:
C26H18S6
Molecular Weight:
522.8111
IUPAC Name:
2-methyl-5-[5-[5-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
InChI:
InChI=1S/C26H18S6/c1-15-3-5-17(27-15)19-7-9-21(29-19)23-11-13-25(31-23)26-14-12-24(32-26)22-10-8-20(30-22)18-6-4-16(2)28-18/h3-14H,1-2H3
InChI Key:
PJWKDOQBMUKZES-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)C
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.973g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.79g/mol
Monoisotopic Mass:
521.973g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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