114058-90-1

Basic information

• Product Name: 5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: BUTTPARK 25\03-13;5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL;AKOS BBS-00003418
• CAS NO: 114058-90-1
• Molecular Formula: C₉H₈FN₃S
• Molecular Weight: 209.24
• Mol File: 114058-90-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: 137-139 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 272.7±42.0 °C(Predicted)
• Appearance: /
• Density: 1.38±0.1 g/cm3(Predicted)
• PKA: 8.39±0.20(Predicted)
• CAS DataBase Reference: 5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL(114058-90-1)
• EPA Substance Registry System: 5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL(114058-90-1)

Safety Data

• Hazardous Substances Data: 114058-90-1(Hazardous Substances Data)

Upstream product

• 446-24-2 2-fluorobezohydrazide 
• 556-61-6 methyl thioisocyanate 
• 144-55-8 sodium hydrogencarbonate 
• 116850-73-8 1-(2-fluorobenzoyl)-4-methylthiosemicarbazide 
• 393-52-2 2-Fluorobenzoyl chloride 

Downstream Products

• 116850-50-1 5-(2-fluorophenyl)-4-methyl-3-methylthio-4H-1,2,4-triazole 
• 116850-46-5 4-methyl-3-(2-fluorophenyl)-5-ethylthio-4H-1,2,4-triazole 
• 116850-66-9 3-Ethanesulfonyl-5-(2-fluoro-phenyl)-4-methyl-4H-[1,2,4]triazole 
• 116850-65-8 3-Ethanesulfinyl-5-(2-fluoro-phenyl)-4-methyl-4H-[1,2,4]triazole 
• 116850-47-6 3-(2-fluorophenyl)-4-methyl-5-methylsulfonyl-4H-1,2,4-triazole 
• 116850-53-4 3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-4H-1,2,4-triazole 

Relevant articles and documents

Synthesis, antifungal activity, 3d-qsar, and molecular docking study of novel menthol-derived 1,2,4-triazole-thioether compounds

A series of novel menthol derivatives containing 1,2,4-triazole-thioether moiety were designed, synthesized, characterized structurally, and evaluated biologically to explore more potent natural product-based antifungal agents. The bioassay results reveal

5-Aryl-3-(alkylthio)-4H-1,2,4-triazoles as selective antagonists of strychnine-induced convulsions and potential antispastic agents

Selected examples from three series of isomeric (alkylthio)-1,2,4- triazoles were prepared and examined for anticonvulsant activity versus strychnine-, maximal-electroshock-, pentylenetetrazole-, and 3- mercaptopropionic-acid-induced seizures in mice. A n

3-aryl-5-alkylthio-4H-1,2,4-traizoles for treatment of hyperreflexia due to spinal trauma

This invention relates to the use of 3-aryl-5-alkylthio-4H-1,2,4-triazoles and the corresponding alkylsulfinyl- and alkylsulfonyl-4H-1,2,4-triazoles in the treatment of patients suffering from chronic hyperreflexia due to spinal trauma.