3414-96-8

Basic information

• Product Name: 1H-1,2,4-Triazole-3-thiol, 5-(p-hydroxyphenyl)-, hydrate
• Synonyms: 1H-1,2,4-Triazole-3-thiol, 5-(p-hydroxyphenyl)-, hydrate
• CAS NO: 3414-96-8
• Molecular Formula: C₈H₇N₃OS
• Molecular Weight: 193.23
• Mol File: 3414-96-8.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 268.6°Cat760mmHg
• Flash Point: 116.3°C
• Appearance: /
• Density: 1.49g/cm³
• Vapor Pressure: 0.00761mmHg at 25°C
• Refractive Index: 1.748
• CAS DataBase Reference: 1H-1,2,4-Triazole-3-thiol, 5-(p-hydroxyphenyl)-, hydrate(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,4-Triazole-3-thiol, 5-(p-hydroxyphenyl)-, hydrate(3414-96-8)
• EPA Substance Registry System: 1H-1,2,4-Triazole-3-thiol, 5-(p-hydroxyphenyl)-, hydrate(3414-96-8)

Safety Data

• Hazardous Substances Data: 3414-96-8(Hazardous Substances Data)

Usage

Chemical Class

1,2,4-triazole derivative

Functional Groups

Thiol (-SH), p-hydroxyphenyl (-OH)

Physical State

Solid

Solubility

Soluble in water

Molecular Weight

214.24 g/mol (hydrate form)

Biological Properties

Antibacterial, antifungal

Potential Applications

Pharmaceuticals, agrochemicals, materials science

Research Status

Requires further studies to fully understand its properties and potential uses.

InChI:InChI=1/C8H7N3OS/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7/h1-4,10H,(H2,9,11,13)

Upstream product

• 28141-24-4 4-hydroxybenzoyl chloride 
• 58975-53-4 N₂-(4-hydroxybenzoyl)thiosemicarbazide 
• 79-19-6 thiosemicarbazide 
• 1079-82-9 1-(p-methylbenzoyl)-3-thisemicarbazide 
• 99-96-7 4-hydroxy-benzoic acid 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 5351-23-5 4-hydroxybenzoic acid hydrazide 

Downstream Products

• 193486-00-9 4-(5-methanesulfinylmethylsulfanyl-4H-[1,2,4]triazol-3-yl)-phenol 
• 193486-08-7 3-(4-hydroxy-phenyl)-5-methanesulfinylmethylsulfanyl-[1,2,4]triazole-4-carbodithioic acid 
• 193486-05-4 3-(4-hydroxy-phenyl)-5-methanesulfinylmethylsulfanyl-[1,2,4]triazole-4-carbothioic acid phenylamide 
• 193486-06-5 3-(4-hydroxy-phenyl)-5-methanesulfinylmethylsulfanyl-[1,2,4]triazole-4-carbothioic acid o-tolylamide 
• 1134633-68-3 C₁₈H₁₂N₄O₂S 
• 1134633-69-4 C₁₉H₁₄N₄O₂S 
• 1134633-70-7 C₁₉H₁₄N₄O₂S 
• 1134633-71-8 C₁₉H₁₄N₄O₃S 
• 1211543-07-5 C₁₈H₁₀N₄O₂S 
• 1211543-08-6 C₁₉H₁₂N₄O₂S 
• 1211543-10-0 C₁₉H₁₂N₄O₃S 
• 1211543-09-7 C₁₉H₁₂N₄O₂S 
• 1351946-21-8 C₁₂H₁₆N₄OS 
• 1351946-22-9 C₁₄H₂₀N₄OS 

Relevant articles and documents

Synthesis of N′-arylidene-2-(5-aryl-1H-1, 2, 4-triazol-3-ylthio) acetohydrazides as antidepressants

Abstract: A series of N′-arylidene-2-(5-aryl-1H-1, 2, 4-triazol-3-ylthio) acetohydrazide were synthesized. Condensation of aromatic aldehydes with 2-(5-aryl-1H-1, 2, 4-triazol-3-ylthio) acetohydrazide gave corresponding N′ -arylidene-2-(5-aryl-1H-1, 2, 4-triazol-3-ylthio) acetohydrazide. Spectral and elemental analysis was used for structural elucidation of novel 1, 2, 4-triazole schiff bases. The newly synthesized compounds were screened for their antidepressant activity by using tail suspension test in mice. Compound 4l showed significant activity among the series. Graphical Abstract: A series of new N′-arylidene-2-(5-aryl-1H-1, 2, 4-triazol-3-ylthio)acetohydrazide have been synthesized and characterized. The results revealed that compound 4l with bromo substitution exhibited promising antidepressant activity among the series. [InlineMediaObject not available: see fulltext.].

Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as antimycobacterial agents

Resistance among dormant mycobacteria leading to multidrug-resistant and extremely drug-resistant tuberculosis is one of the major threats. Hence, a series of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione derivatives (4a–5c) have been synthesized and screened for their antitubercular activity against Mycobacterium tuberculosis H37Ra (H37Ra). The triazolethiones 4b and 4v showed high antitubercular activity (both MIC and IC50) against the dormant H37Ra by in vitro and ex vivo. They were shown to have more specificity toward mycobacteria than other Gram-negative and Gram-positive pathogenic bacteria. The cytotoxicity was almost insignificant up to 100?μg/ml against THP-1, A549, and PANC-1 human cancer cell lines, and solubility was high in aqueous solution, indicating the potential of developing these compounds further as novel therapeutics against tuberculosis infection.

1,2,4-TRIAZOLE, 1,3,4-OXADIAZOLE, AND 1,3,4-THIADIAZOLE DERIVATIVES AND THEIR ANTIMYCOBACTERIAL ACTIVITY

Disclosed herein are novel five membered heterocyclic compounds of Formula (I) wherein, X is S or SO2; n is 0, 1; m is1 or 2; Y is N, O or S; R2 independently represents H or alkyl or halo selected from -CI, -F; or -CF3, or -OH or-NH2 or - NO2; and R1 independently represents H or C1 to C5 straight or branched chain alkyl, alkenyl, alkynyl or a group -(CH2)5Br or pyrrolidine or - NHR' wherein R' is H or isopropyl or (II) or (III) which selectively act against dormant pathogenic tuberculi bacilli and exhibit antiproliferative activities and for treatment of a disease or disorder associated with GroEL1/GroEL2 activity. The invention relates to a process for preparation of novel five membered heterocyclic compounds of Formula I and to pharmaceutical compositions thereof.