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Home Other Building Blocks 2-(4-Chlorophenyl)benzothiazole

2-(4-Chlorophenyl)benzothiazole

CAS No.:
6265-91-4
Catalog Number:
AG003EVS
Molecular Formula:
C13H8ClNS
Molecular Weight:
245.7273
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$628
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Product Description
Catalog Number:
AG003EVS
Chemical Name:
2-(4-Chlorophenyl)benzothiazole
CAS Number:
6265-91-4
Molecular Formula:
C13H8ClNS
Molecular Weight:
245.7273
MDL Number:
MFCD00030229
IUPAC Name:
2-(4-chlorophenyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H8ClNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChI Key:
GEYFXQNOTPBYPC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc2c(s1)cccc2
NSC Number:
33160
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.724g/mol
Monoisotopic Mass:
245.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Synthesis and photophysical properties of yellow-emitting iridium complexes. Effect of the temperature on the character of triplet emission. Journal of fluorescence 20121101
Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking. Bioorganic & medicinal chemistry 20110715
Toxicology in the fast lane: application of high-throughput bioassays to detect modulation of key enzymes and receptors. Environmental health perspectives 20091201
A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution. Journal of medicinal chemistry 20090312
2-(4'-chlorophenyl)benzothiazole is a potent inducer of cytochrome P450IA1 in a human and a mouse cell line. Anomalous correlation between protein and mRNA induction. European journal of biochemistry 19890415
Properties