138417-35-3

Basic information

• Product Name: 5-(4-FLUORO-PHENYL)-4-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL
• Synonyms: AKOS B017973;AKOS BBS-00003427;5-(4-FLUORO-PHENYL)-4-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL;BUTTPARK 25\03-11;ART-CHEM-BB B017973;CHEMBRDG-BB 3017973;Albb-003258;5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
• CAS NO: 138417-35-3
• Molecular Formula: C₉H₈FN₃S
• Molecular Weight: 209.24
• Mol File: 138417-35-3.mol

Chemical Properties

• Boiling Point: 266.3°C at 760 mmHg
• Flash Point: 114.9°C
• Appearance: /
• Density: 1.38g/cm³
• Vapor Pressure: 0.00871mmHg at 25°C
• Refractive Index: 1.661
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 8.54±0.20(Predicted)
• CAS DataBase Reference: 5-(4-FLUORO-PHENYL)-4-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-FLUORO-PHENYL)-4-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL(138417-35-3)
• EPA Substance Registry System: 5-(4-FLUORO-PHENYL)-4-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL(138417-35-3)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 138417-35-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-(4-Fluoro-phenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol is used as a pharmaceutical intermediate for the synthesis of various drugs. Its unique structure and potential biological activities make it a valuable component in the development of new medications.
Used in Antimicrobial Applications:
5-(4-Fluoro-phenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol is used as an antimicrobial agent due to its potential to inhibit the growth of bacteria and other microorganisms. Its effectiveness in combating infections and preventing the spread of diseases makes it a promising candidate for use in medical and agricultural settings.
Used in Antifungal Applications:
5-(4-Fluoro-phenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol is used as an antifungal agent, demonstrating the ability to prevent the growth and proliferation of fungi. This property makes it useful in treating fungal infections and controlling fungal growth in various environments.
Used in Antiviral Applications:
5-(4-Fluoro-phenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol is used as an antiviral agent, showing potential to inhibit the replication and spread of viruses. Its antiviral properties make it a candidate for the development of new treatments for viral infections.
Used in Development of New Organic Compounds:
5-(4-Fluoro-phenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol is used in the development of new organic compounds for medical and agricultural applications. Its unique structure and potential biological activities contribute to the creation of innovative solutions for various industries.

InChI:InChI=1/C9H8FN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)

Upstream product

• 154106-08-8 1-(4-fluorobenzoyl)-4-methylthiosemicarbazide 
• 456-06-4 4-fluorobenzoyl hydrazide 
• 556-61-6 methyl thioisocyanate 
• 403-43-0 4-fluorobenzoyl chloride 

Downstream Products

• 177713-74-5 (6R,7R)-7-Amino-3-[5-(4-fluoro-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 
• 695812-65-8 (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-3-[5-(4-fluoro-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 

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

Synthesis and structure-activity relationship of C-3 substituted triazolylthiomethyl cephems

A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.

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