51618-29-2

Basic information

• Product Name: 6-Chloro-2-mercaptobenzothiazole
• Synonyms: 6-chlorobenzothiazole-2-thiol;2(3H)-Benzothiazolethione,6-chloro-(9CI);6-Chloro-1,3-benzothiazole-2(3H)-thione;6-Chloro-2-mercaptobenzothiazole;6-Chlorobenzothiazole-2(3H)-thione;6-Chloro-2,3-dihydro-2-thioxo-1,3-benzothiazole;6-Chlorobenzo[d]thiazole-2-thiol;6- Chloro-2-Mercaptobenzothiazol
• CAS NO: 51618-29-2
• Molecular Formula: C₇H₄ClNS₂
• Molecular Weight: 201.7
• EINECS: 257-321-6
• Product Categories: BENZOTHIAZOLE;Heterocycles;Heterocyclic Compound
• Mol File: 51618-29-2.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 318.689 °C at 760 mmHg
• Flash Point: 146.538 °C
• Appearance: /
• Density: 1.542 g/cm³
• Vapor Pressure: 7.86E-05mmHg at 25°C
• Refractive Index: 1.785
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 6-Chloro-2-mercaptobenzothiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Chloro-2-mercaptobenzothiazole(51618-29-2)
• EPA Substance Registry System: 6-Chloro-2-mercaptobenzothiazole(51618-29-2)

Safety Data

• Hazardous Substances Data: 51618-29-2(Hazardous Substances Data)

Usage

Chemical Properties

Yellow solid

InChI:InChI=1/C7H4ClNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

Upstream product

• 140-89-6 potassium ethyl xanthogenate 
• 23474-98-8 2-amino-5-chlorobenzenethiol 
• 75-15-0 carbon disulfide 
• 554-00-7 2,4-Dichloroaniline 
• 106-47-8 4-chloro-aniline 
• 873-38-1 4-chloro-2-bromoaniline 
• 140-92-1 potassium isopropylxanthate 
• 2942-10-1 6-chloro-1,3-benzothiazole 
• 31183-89-8 2-[(2-amino-5-chlorophenyl)dithio]-4-chlorophenylamine 
• 63069-48-7 p-chloro-o-iodoaniline 
• 38622-91-2 [(p-methylphenyl)sulfonylmethyl]isonitrile 
• 35576-53-5 6-Chloro-1,2,3-benzodithiazol-1-ium chloride 
• 3507-17-3 6-chloro-2-bromobenzothiazole 
• 17356-08-0 thiourea 

Downstream Products

• 21261-85-8 6-chloro-3-methylbenzo[d]thiazole-2(3H)-thione 
• 99580-39-9 2-(benzylsulphanyl)-6-chloro-1,3-benzothiazole 
• 1189350-90-0 6-chloro-2-(phenylthio)-1,3-benzothiazole 
• 3507-42-4 6-chloro-2-(methylthio)benzo[d]thiazole 
• 3622-23-9 2,6-dichloro-1,3-benzothiazole 
• 88946-22-9 6-chlorobenzothiazole-2-sulfenamide 
• 2727-38-0 {2-[3-chloro-4-(6-chloro-benzothiazol-2-ylsulfanylmethyl)-phenoxy]-ethyl}-diethyl-amine 
• 3905-87-1 {2-[4-(6-chloro-benzothiazol-2-ylsulfanylmethyl)-2-iodo-phenoxy]-ethyl}-diethyl-amine 
• 1857-73-4 {2-[3-(6-chloro-benzothiazol-2-ylsulfanylmethyl)-phenoxy]-ethyl}-diethyl-amine 

Relevant articles and documents

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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.

Metal sulfide: An efficient promoter for the synthesis of 2-mercaptobenzothiazoles from 2-haloanilines and carbon disulfide

A convenient method has been developed for the preparation of a variety of 2-mercaptobenzothiazoles from 2-haloanilines and CS2 mediated by metal sulfide. In this reaction, 2-haloanilines reacted with CS2 in the presence of Na2S · 9H2O to form 2-mercaptobenzothiazoles. Na2S · 9H2O functioned both as an activator of CS2 and as a base. Furthermore, NMR analysis was used to identify the different reaction mechanisms of 2-haloanilines and CS2 mediated by Na2S or 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), which demonstrated that Na2S interacted only with CS2, while DBU reacted with both 2-iodoaniline and CS2.