CAS 183561-67-3 | Benzothiazole, 2-(4-ethoxyphenyl)- | CAS Number 183561-67-3

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183561-67-3 | Benzothiazole, 2-(4-ethoxyphenyl)-

CAS No: 183561-67-3 Catalog No: AG0027OU MDL No:

Product Description

Catalog Number:

AG0027OU

Chemical Name:

Benzothiazole, 2-(4-ethoxyphenyl)-

CAS Number:

183561-67-3

Molecular Formula:

C15H13NOS

Molecular Weight:

255.3348

IUPAC Name:

2-(4-ethoxyphenyl)-1,3-benzothiazole

InChI:

InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3

InChI Key:

NAUXHTYTQIQZJI-UHFFFAOYSA-N

SMILES:

CCOc1ccc(cc1)c1nc2c(s1)cccc2

Properties

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.335g/mol

Monoisotopic Mass:

255.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Exploration of in vitro time point quantitative evaluation of newly synthesized benzimidazole and benzothiazole derivatives as potential antibacterial agents.	Bioorganic & medicinal chemistry letters 20111215
Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking.	Bioorganic & medicinal chemistry 20110715