1424-52-8

Basic information

• Product Name: Benzenesulfonyl isothiocyanate, 4-methyl-
• CAS NO: 1424-52-8
• Molecular Formula: C8H7NO2S2
• Molecular Weight: 213.281
• Mol File: 1424-52-8.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzenesulfonyl isothiocyanate, 4-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonyl isothiocyanate, 4-methyl-(1424-52-8)
• EPA Substance Registry System: Benzenesulfonyl isothiocyanate, 4-methyl-(1424-52-8)

Safety Data

• Hazardous Substances Data: 1424-52-8(Hazardous Substances Data)

Upstream product

• 333-20-0 potassium thioacyanate 
• 98-59-9 p-toluenesulfonyl chloride 
• 70-55-3 toluene-4-sulfonamide 
• 75-15-0 carbon disulfide 
• 75-44-5 phosgene 
• 5706-65-0 dipotassium p-tolylsulfonyl dithiocarbamate 

Downstream Products

• 13750-32-8 C₁₀H₁₅N₃O₂S₂ 
• 52938-44-0 4,5-diphenyl-3-(toluene-4-sulfonyl)-3H-oxazole-2-thione 
• 119350-70-8 3-(4-toluenesulfonyl)-5-(4-methoxyphenoxymethylene)-2-oxazolidinethione 
• 75483-24-8 N-[Bis-(2-hydroxy-1,1-dimethyl-ethylamino)-mercapto-methyl]-4-methyl-benzenesulfonamide 
• 5530-82-5 N-cyclohexyl-N'-tosyl-thiourea 
• 74668-40-9 3-(4-toluenesulfonyl)oxazolidine-2-thione 
• 75483-27-1 1-(4-toluenesulfonyl)imidazolin-5-one-2-thione 
• 75483-22-6 1-(4-toluenesulfonyl)-5-methylimidazoline 
• 75483-23-7 1-(4-methylphenylsulfonyl)hexahydropyrimidine-2-thione 
• 75483-28-2 C₁₁H₁₄N₂O₄S₂ 
• 75483-20-4 1-(4-methylphenylsulfonyl)imidazolidine-2-thione 
• 4251-13-2 thiocyanatocyclohexane 
• 127878-51-7 S-(pyridin-2-yl) 4-methylbenzenesulfonothioate 
• 73280-21-4 4-(tert-Butylimino)-6-(dicyclohexylamino)-3,4-dihydro-3-(4-methylphenylsulfonyl)-2H-1,3,5-thiadiazin-2-thion 

Relevant articles and documents

Na2S2O8-mediated efficient synthesis of isothiocyanates from primary amines in water

We have developed two green, practical, and efficient procedures, including a one-pot one, to synthesize isothiocyanates from amines and carbon disulfide via desulfurization with sodium persulfate. Water is used as the solvent. Basic conditions are necessary for good chemoselectivity for isothiocyanates. Structurally diverse linear and branched alkyl amines and aryl amines are readily converted to isothiocyanates by the two procedures in satisfactory yields. Halogens, benzylic C-H bonds, methylthio, nitro, ester, alkenyl, electron-rich or -deficient (hetero)aryls, acetylenyl, and even phenolic and alcoholic hydroxyls are well tolerated. The one-pot procedure in water can also be used to realize the preparation of chiral isothiocyanates from chiral amines, and the modification of bioactive structures with free amino groups. In large-scale preparation, simple and practical purification procedures independent of column chromatography are developed.

Carbonic anhydrase inhibitors. Part 37. Novel classes of isozyme I and II inhibitors and their mechanism of action. Kinetic and spectroscopic investigations on native and cobalt-substituted enzymes

The interaction of Zn(II)- and Co(II)-carbonic anhydrase (CA) with a series of compounds possessing moieties resembling the aromatic sulfonamides, such as sulfamide, sulfamic acid, N-substituted aromatic sulfonamides, sulfenamides, sulfinic and seleninic acids, was investigated using kinetic and spectroscopic techniques. All these compounds inhibit the hydrasic and esterasic activity of the enzyme. Their binding within the active site of isozymes I and II is discussed on the basis of modifications of electronic and 1H-NMR spectra of their adducts with the Co(II) enzyme. Some of these compounds represent novel classes of CA inhibitors, possessing equal or stronger potencies than the prototypical inhibitors, the unsubstituted sulfonamides. Qualitative structure-activity correlations are discussed.