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162151-09-9 | 2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-didodecyl-
CAS No: 162151-09-9 Catalog No: AG001SSS MDL No:
Product Description
Catalog Number:
AG001SSS
Chemical Name:
2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-didodecyl-
CAS Number:
162151-09-9
Molecular Formula:
C40H58S4
Molecular Weight:
667.1485
IUPAC Name:
2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
InChI:
InChI=1S/C40H58S4/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-31-41-39(33)37-27-25-35(43-37)36-26-28-38(44-36)40-34(30-32-42-40)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3
InChI Key:
DZUNDTRLGXGTGU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccsc1c1ccc(s1)c1ccc(s1)c1sccc1CCCCCCCCCCCC
NSC Number:
686347
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.342g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
667.144g/mol
Monoisotopic Mass:
666.342g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.2
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