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26231-77-6 | Thiophene, 2,2'-(1E)-1,2-ethenediylbis[5-[(1E)-2-(2-thienyl)ethenyl]- (9CI)
CAS No: 26231-77-6 Catalog No: AG002SE9 MDL No:
Product Description
Catalog Number:
AG002SE9
Chemical Name:
Thiophene, 2,2'-(1E)-1,2-ethenediylbis[5-[(1E)-2-(2-thienyl)ethenyl]- (9CI)
CAS Number:
26231-77-6
Molecular Formula:
C22H16S4
Molecular Weight:
408.6224
IUPAC Name:
2-(2-thiophen-2-ylethenyl)-5-[2-[5-(2-thiophen-2-ylethenyl)thiophen-2-yl]ethenyl]thiophene
InChI:
InChI=1S/C22H16S4/c1-3-17(23-15-1)5-7-19-9-11-21(25-19)13-14-22-12-10-20(26-22)8-6-18-4-2-16-24-18/h1-16H
InChI Key:
ARHOVKSZDDKKST-UHFFFAOYSA-N
SMILES:
c1csc(c1)/C=C/c1ccc(s1)/C=C/c1ccc(s1)/C=C/c1cccs1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.013g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.61g/mol
Monoisotopic Mass:
408.013g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
7.7
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