16112-21-3 | 2-(4-Methylphenyl)-benzothiazole

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$67.00	$47.00
10g	98%	in stock	$573.00	$402.00
25g	98%	in stock	$1,132.00	$793.00

Description

• Catalog Number: AA83004
• Chemical Name: 2-(4-Methylphenyl)-benzothiazole
• CAS Number: 16112-21-3
• Molecular Formula: C14H11NS
• Molecular Weight: 225.3088
• MDL Number: MFCD00030228
• SMILES: Cc1ccc(cc1)c1nc2c(s1)cccc2

Computed Properties

• Complexity: 235
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 4.6

Literature

• Bis{μ-[4-(1,3-benzothia-zol-2-yl)phen-yl]methane-thiol-ato-κS,S':S,S'}bis-[tricarbonyl-iron(I)](Fe-Fe).

  Acta crystallographica. Section E, Structure reports online 20120301

• Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking.

  Bioorganic & medicinal chemistry 20110715