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138537-84-5 | 2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene, 5,5''''-dimethyl-
CAS No: 138537-84-5 Catalog No: AG0019EX MDL No:
Product Description
Catalog Number:
AG0019EX
Chemical Name:
2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene, 5,5''''-dimethyl-
CAS Number:
138537-84-5
Molecular Formula:
C22H16S5
Molecular Weight:
440.6874
IUPAC Name:
2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene
InChI:
InChI=1S/C22H16S5/c1-13-3-5-15(23-13)17-7-9-19(25-17)21-11-12-22(27-21)20-10-8-18(26-20)16-6-4-14(2)24-16/h3-12H,1-2H3
InChI Key:
RKBRGVUUNHTMEJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.986g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.67g/mol
Monoisotopic Mass:
439.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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