4100-13-4

Basic information

• Product Name: 1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID
• Synonyms: BUTTPARK 30\06-44;1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID;4-CARBOXY-1,2,3-THIADIAZOLE;RARECHEM AL BE 0508;1,2,3-Thiadiazole-4-carboxylic acid ,98%;4-thiadiazolecarboxylic acid;thiadiazole-4-carboxylic acid;1,2,3-Thiadiazole-4-Carboxylic Acid(WX613780)
• CAS NO: 4100-13-4
• Molecular Formula: C₃H₂N₂O₂S
• Molecular Weight: 130.13
• Product Categories: Sulphur Derivatives
• Mol File: 4100-13-4.mol

Chemical Properties

• Melting Point: 224 °C
• Boiling Point: 322.3 °C at 760 mmHg
• Flash Point: 148.7 °C
• Appearance: /
• Density: 1.67 g/cm³
• Vapor Pressure: 0.000117mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 2.79±0.10(Predicted)
• Water Solubility: Slightly soluble in water.
• BRN: 113707
• CAS DataBase Reference: 1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID(4100-13-4)
• EPA Substance Registry System: 1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID(4100-13-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 4100-13-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1,2,3-Thiadiazole-4-carboxylic acid is used as an active pharmaceutical intermediate for the development of various medications. Its chemical properties make it a valuable building block in the synthesis of drugs targeting a wide range of medical conditions.
Used in Chemical Synthesis:
In addition to its pharmaceutical applications, 1,2,3-Thiadiazole-4-carboxylic acid is also utilized in chemical synthesis for the production of other compounds with diverse applications across different industries. Its unique structure and reactivity contribute to the creation of novel materials and products.

InChI:InChI=1/C3H2N2O2S/c6-3(7)2-1-8-5-4-2/h1H,(H,6,7)/p-1

Upstream product

• 58792-16-8 2-ethoxycarbonylhydrazono-propionic acid 
• 7719-09-7 thionyl chloride 
• 3989-36-4 ethyl 4-(1,2,3-thiodiazole)carboxylate 

Downstream Products

• 4100-17-8 1,2,3-thiadiazole-4-carboxylic acid chloride 
• 288-48-2 1,2,3-thiadiazole 
• 320781-63-3 ethyl 1-{6-chloro-2-[(1,2,3-thiadiazol-4-yl)carbonyl]-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl}cyclobutanecarboxylate 
• 637336-45-9 [1,2,3]Thiadiazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide 
• 1093255-42-5 N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1,2,3-thiadiazole-4-carboxamide 
• 1276676-42-6 1-(2,2-dimethylpropyl)-3-methyl-5-[(1S,4S)-5-(1,2,3-thiadiazol-4-ylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one 
• 1134816-55-9 N-[[3-[8-methyl-5-(methylamino)-8H-imidazo[4,5-d]thiazolo[5,4-b]-pyridine-2-yl]phenyl]methyl]-1,2,3-thiadiazole-5-amide 

Relevant articles and documents

Inhibition of Nonessential Bacterial Targets: Discovery of a Novel Serine O-Acetyltransferase Inhibitor

In ?-proteobacteria and Actinomycetales, cysteine biosynthetic enzymes are indispensable during persistence and become dispensable during growth or acute infection. The biosynthetic machinery required to convert inorganic sulfur into cysteine is absent in mammals; therefore, it is a suitable drug target. We searched for inhibitors of Salmonella serine acetyltransferase (SAT), the enzyme that catalyzes the rate-limiting step of l-cysteine biosynthesis. The virtual screening of three ChemDiv focused libraries containing 91 ?243 compounds was performed to identify potential SAT inhibitors. Scaffold similarity and the analysis of the overall physicochemical properties allowed the selection of 73 compounds that were purchased and evaluated on the recombinant enzyme. Six compounds displaying an IC50 a Gram-negative model organism, with one of them being able to interfere with bacterial growth via SAT inhibition.

1,3-Dithiol-4,5-dithiolate and 5,6-Dihydro-1,4-diselenin-2,3-dithiolate Nickel Complexes

With the goal of obtaining new ethylenedithiolate transition metals complexes, unstable tetrabutylammonium bis(1,3-dithiol-4,5-dithiolato)niccolate(III) and stable tetrabutylammonium bis(5,6-dihydro-1,4-diselenin-2,3-dithiolato)niccolate(III) were synthesized. The two complexes were characterized by elemental analysis and IR and electron absorption spectroscopy, and the second, also by voltammetry. A new convenient procedure was proposed for preparation of 1,3-dithiol-2-thione which is a key initial compound in the synthesis of the title complexes.