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5153-66-2 | 2,2'-[1,1'-BIPHENYL]-4,4'-DIYLBIS-BENZO[D]THIAZOLE
CAS No: 5153-66-2 Catalog No: AG006VM2 MDL No:
Product Description
Catalog Number:
AG006VM2
Chemical Name:
2,2'-[1,1'-BIPHENYL]-4,4'-DIYLBIS-BENZO[D]THIAZOLE
CAS Number:
5153-66-2
Molecular Formula:
C26H16N2S2
Molecular Weight:
420.5486
IUPAC Name:
2-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole
InChI:
InChI=1S/C26H16N2S2/c1-3-7-23-21(5-1)27-25(29-23)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-28-22-6-2-4-8-24(22)30-26/h1-16H
InChI Key:
DQNJRRPFGUMJMK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)sc(n2)c1ccc(cc1)c1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.075g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.548g/mol
Monoisotopic Mass:
420.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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