68867-17-4

Basic information

• Product Name: Benzothiazole-5-carboxylic acid
• Synonyms: 5-Benzothiazolecarboxylicacid(6CI,9CI);benzo[d]thiazole-5-carboxylic acid;1,3-Benzothiazole-5-carboxylic acid;Benzothiazole-5-carboxylic acid;1,3-benzothiazole-5-carboxylic acid(SALTDATA: FREE);5-Carboxy-1,3-benzothiazole;5-Benzothiazolecarboxylicacid
• CAS NO: 68867-17-4
• Molecular Formula: C₈H₅NO₂S
• Molecular Weight: 179.2
• Product Categories: BENZOTHIAZOLE;Thiazole
• Mol File: 68867-17-4.mol
• Article Data: 6

Chemical Properties

• Melting Point: 261-262 °C(Solv: water (7732-18-5))
• Boiling Point: 387.668 °C at 760 mmHg
• Flash Point: 188.255 °C
• Appearance: light yellow crystal powder
• Density: 1.509 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.732
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.57±0.30(Predicted)
• CAS DataBase Reference: Benzothiazole-5-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole-5-carboxylic acid(68867-17-4)
• EPA Substance Registry System: Benzothiazole-5-carboxylic acid(68867-17-4)

Safety Data

• Hazardous Substances Data: 68867-17-4(Hazardous Substances Data)

Usage

Chemical Properties

light yellow crystal powder

InChI:InChI=1/C8H5NO2S/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11)

Upstream product

• 64-18-6 formic acid 
• 96-99-1 4-chloro-3-nitrobenzoate 
• 35350-37-9 methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate 
• 14719-83-6 methyl 3-nitro-4-chlorobenzoate 
• 478169-65-2 methyl 1,3-benzothiazole-5-carboxylate 
• 2942-16-7 5-methylbenzo[d]thiazole 
• 103261-70-7 ethyl benzo[d]thiazole-5-carboxylate 

Downstream Products

• 1262889-04-2 5-(chloromethyl)benzo[d]thiazole 
• 394223-38-2 1,3-benzothiazole-5-carbaldehyde 
• 394223-37-1 benzo[d]thiazol-5-ylmethanol 
• 478169-65-2 methyl 1,3-benzothiazole-5-carboxylate 
• 106206-23-9 3-amino-4-sulfo-benzoic acid 
• 101084-95-1 5-carboxyl-2-aminobenzothiazole 

Relevant articles and documents

Design, synthesis, structure-activity relationship, and in vivo activity of azabicyclic aryl amides as α7 nicotinic acetylcholine receptor agonists

A novel set of azabicyclic aryl amides have been identified as potent and selective agonists of the α7 nAChR. A two-pronged approach was taken to improve the potential hERG liability of previously disclosed α7 nAChR agonist, PNU-282,987, while maintaining the compound's other desirable pharmacological properties. The first approach involved further exploration of the aryl carboxylic acid fragment of PNU-282,987, while the second approach focused on modification of the azabicyclic amine portion of PNU-282,987. The best compounds from each series are characterized by rapid brain penetration, good oral bioavailability in rat, and demonstrate in vivo efficacy in a rat P50 auditory sensory gating assay. At least one analog from each series (1h, 1o, 2a, 9a, and 18a) shows an improved hERG safety profile over PNU-282,987.

Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity

Aminopiperidine derivatives of formula (I) and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly in man.

NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS

Cyclohexane and cyclohexene derivatives and pharmaceutically acceptable derivatives hereof useful in methods of treatment of bacterial infections in mammals, particularly man.