51618-30-5

Basic information

• Product Name: 6-Bromo-2-mercaptobenzothiazole
• Synonyms: 6-Bromo-2-mercaptobenzothiazole;2-Mercapto-6-bromobenzothiazole;6-Bromo-2(3H)-benzothiazolethione;6-Bromobenzo[d]thiazole-2-thiol;6-broMo-1,3-benzothiazole-2-thiol;6-BroMobenzo[d]thiazole-2(3H)-thione
• CAS NO: 51618-30-5
• Molecular Formula: C₇H₄BrNS₂
• Molecular Weight: 246.15
• Product Categories: Heterocycles;Heterocyclic Compound;API intermediates
• Mol File: 51618-30-5.mol
• Article Data: 15

Chemical Properties

• Melting Point: 260-263 °C
• Boiling Point: 359.7 °C at 760 mmHg
• Flash Point: 171.3 °C
• Appearance: powder
• Density: 1.93
• Vapor Pressure: 2.34E-05mmHg at 25°C
• Refractive Index: 1.827
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 9.15±0.20(Predicted)
• CAS DataBase Reference: 6-Bromo-2-mercaptobenzothiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Bromo-2-mercaptobenzothiazole(51618-30-5)
• EPA Substance Registry System: 6-Bromo-2-mercaptobenzothiazole(51618-30-5)

Safety Data

• Hazardous Substances Data: 51618-30-5(Hazardous Substances Data)

Usage

Chemical Properties

Yellow solid

InChI:InChI=1/C7H4BrNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

Upstream product

• 80945-86-4 6-bromo-2-chloro-benzothiazole 
• 367-24-8 4-bromo-2-fluoroaniline 
• 140-89-6 potassium ethyl xanthogenate 
• 615-57-6 2,4-dibromo-aniline 
• 182499-80-5 2,2′-disulfanediylbis(4-bromoaniline) 
• 75-15-0 carbon disulfide 
• 53218-26-1 6-bromo-1,3-benzothiazole 
• 66416-72-6 4-bromo-2-iodoaniline 
• 28563-38-4 ethylxanthogenate 
• 38622-91-2 [(p-methylphenyl)sulfonylmethyl]isonitrile 

Downstream Products

• 474966-97-7 6-bromo-2-(methylsulfanyl)benzothiazole 

Relevant articles and documents

Metal-free C–H mercaptalization of benzothiazoles and benzoxazoles using 1,3-propanedithiol as thiol source

A facile and effective C–H functionalization strategy for the synthesis of 2-mercaptobenzothiazoles and 2-mercaptobenzoxazoles is described. 1,3-Propanedithiol was employed to convert benzothiazoles and benzoxazoles to the corresponding heteroarylthiols in the presence of potassium hydroxide and DMSO. This novel protocol is featured by direct C–H mercaptalization of heteroarenes and a simple reaction system.

A α 7 smoke alkali acetylcholine receptor ligand and its preparation method

The present invention relates to an alpha7 nicotinic acetylcholine receptor ligand and a preparation method thereof. The ligand includes an agonist and an imaging agent, the agonist is a 1,4-diazabicyclo [3.2.2] nonane-benzo heterocyclic derivative, and the imaging agent is 125I and 18F-trifluoromethyl marker. The derivatives both have good brain uptake, the absorption values in different regions of the brain are basally consistent with the distribution of alpha7nAChR receptors, the uptake of the derives is highest in hippocampus, thalamus, cortex and other regions where the alpha7nAChR receptors targetedly distribute, and the derives can be blocked by known alpha7nAChR ligands but can not be blocked by alpha4beta2 medicine. Therefore, the 1,4-diazabicyclo [3.2.2] nonane-benzo heterocyclic derivative and the 125I and 18F-trifluoromethyl marker are potential agonist and imaging agent for alpha7 nicotinic acetylcholine receptors.

An efficient copper-catalyzed synthesis of 2-mercaptobenzothiazole through S-arylation/heterocyclization of 2-haloaniline with potassium xanthate

A mild and efficient methodology to produce 2-mercaptobenzothiazoles in DMF via ortho-haloaniline coupling with potassium O-ethyl dithiocarbonate catalyzed by copper without a ligand has been developed.