Free Chemical Databases
-
[Synonyms]
NSC700150
AIDS153431
AIDS-153431
NCI60_035932
2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene
[Structure]
[ Properties Computed from Structure]
Molecular Weight 412.63428 [g/mol] Molecular Formula C20H12S5 XLogP 3.7 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 4 Exact Mass 411.954254 MonoIsotopic Mass 411.954254 Topological Polar Surface Area 0 Heavy Atom Count 25 Formal Charge 0 Complexity 417 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,5-bis(5-thiophen-2-ylthiophen-2-yl)thiophene
Canonical SMILES: C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=CS5
InChI: InChI=1/C20H12S5/c1-3-13(21-11-1)15-5-7-17(23-15)19-9-10-20(25-19)18-8-
6-16(24-18)14-4-2-12-22-14/h1-12H
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