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4-Methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol is a complex organic compound that features a 1,2,4-triazole ring, a nitrogen-containing five-membered heterocycle. 4-METHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOLE-3-THIOL is characterized by the integration of a sulfur-containing thiol group and a thiophenic component, with the thiophenic group sharing its sulfur atom with the heterocyclic ring. 4-METHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOLE-3-THIOL's detailed properties, such as boiling point, molecular weight, density, and solubility, are predicted theoretically and confirmed by experimental works. However, its safety, toxicological information, and environmental impact are yet to be thoroughly understood.

68744-66-1

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68744-66-1 Usage

Uses

Used in Pharmaceutical Industry:
4-Methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol is used as a potential pharmaceutical candidate for the development of new drugs. Its unique structure and functional groups make it a promising compound for the synthesis of therapeutic agents, particularly in the area of medicinal chemistry.
Used in Chemical Research:
In the field of chemical research, 4-Methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol is used as a subject of study for understanding its synthesis pathways and exploring its potential applications in various chemical processes. 4-METHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOLE-3-THIOL's reactivity and interaction with other molecules are of particular interest to researchers.
Used in Material Science:
4-Methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol is used as a component in the development of new materials, particularly in the area of organic materials and polymers. Its unique structure and properties may contribute to the creation of materials with novel characteristics and applications.
Used in Environmental Applications:
Although the environmental impact of 4-Methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol is not yet fully understood, it may be used in environmental applications once its safety and ecological effects are better characterized. This could include its use in the development of eco-friendly materials or its application in environmental remediation processes.

Check Digit Verification of cas no

The CAS Registry Mumber 68744-66-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,7,4 and 4 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 68744-66:
(7*6)+(6*8)+(5*7)+(4*4)+(3*4)+(2*6)+(1*6)=171
171 % 10 = 1
So 68744-66-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H7N3S2/c1-10-6(8-9-7(10)11)5-3-2-4-12-5/h2-4H,1H3,(H,9,11)

68744-66-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

1.2 Other means of identification

Product number -
Other names 4-methyl-5-thien-2-yl-4H-1,2,4-triazole-3-thiol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:68744-66-1 SDS

68744-66-1Relevant academic research and scientific papers

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

Duan, Wen-Gui,Huang, Mei,Li, Bao-Yu,Lin, Gui-Shan

, (2021/11/30)

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

Novel Benzohydroxamate-Based Potent and Selective Histone Deacetylase 6 (HDAC6) Inhibitors Bearing a Pentaheterocyclic Scaffold: Design, Synthesis, and Biological Evaluation

Vergani, Barbara,Sandrone, Giovanni,Marchini, Mattia,Ripamonti, Chiara,Cellupica, Edoardo,Galbiati, Elisabetta,Caprini, Gianluca,Pavich, Gianfranco,Porro, Giulia,Rocchio, Ilaria,Lattanzio, Maria,Pezzuto, Marcello,Skorupska, Malgorzata,Cordella, Paola,Pagani, Paolo,Pozzi, Pietro,Pomarico, Roberta,Modena, Daniela,Leoni, Flavio,Perego, Raffaella,Fossati, Gianluca,Steinkühler, Christian,Stevenazzi, Andrea

, p. 10711 - 10739 (2019/12/02)

Histone deacetylase 6 (HDAC6) is a peculiar HDAC isoform whose expression and functional alterations have been correlated with a variety of pathologies such as autoimmune disorders, neurodegenerative diseases, and cancer. It is primarily a cytoplasmic protein, and its deacetylase activity is focused mainly on nonhistone substrates such as tubulin, heat shock protein (HSP)90, Foxp3, and cortactin, to name a few. Selective inhibition of HDAC6 does not show cytotoxic effects in healthy cells, normally associated with the inhibition of Class I HDAC isoforms. Here, we describe the design and synthesis of a new class of potent and selective HDAC6 inhibitors that bear a pentaheterocyclic central core. These compounds show a remarkably low toxicity both in vitro and in vivo and are able to increase the function of regulatory T cells (Tregs) at well-tolerated concentrations, suggesting a potential clinical use for the treatment of degenerative, autoimmune diseases and for organ transplantation.

1,2,4-Triazolyl 5-Azaspiro[2.4]heptanes: Lead Identification and Early Lead Optimization of a New Series of Potent and Selective Dopamine D3 Receptor Antagonists

Micheli, Fabrizio,Bacchi, Alessia,Braggio, Simone,Castelletti, Laura,Cavallini, Palmina,Cavanni, Paolo,Cremonesi, Susanna,Dal Cin, Michele,Feriani, Aldo,Gehanne, Sylvie,Kajbaf, Mahmud,Marchió, Luciano,Nola, Selena,Oliosi, Beatrice,Pellacani, Annalisa,Perdonà, Elisabetta,Sava, Anna,Semeraro, Teresa,Tarsi, Luca,Tomelleri, Silvia,Wong, Andrea,Visentini, Filippo,Zonzini, Laura,Heidbreder, Christian

, p. 8549 - 8576 (2016/10/03)

A novel series of 1,2,4-triazolyl 5-azaspiro[2.4]heptanes with high affinity and selectivity at the dopamine (DA) D3 receptor (D3R) is described. Some of these compounds also have high selectivity over the hERG channel and were characterized with respect to their pharmacokinetic properties both in vitro and in vivo during lead identification and early lead optimization phases. A few derivatives with overall favorable developability characteristics were selected for further late lead optimization studies.

DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS

-

Page/Page column 113; 117, (2016/05/19)

The disclosure is directed to novel dopamine D3 receptor antagonists, processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, including treating drug dependency and psychosis.

Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-Structure-activity relationships and crystallographic analysis

Kirschberg, Thorsten A.,Balakrishnan, Mini,Huang, Wei,Hluhanich, Rebecca,Kutty, Nilima,Liclican, Albert C.,McColl, Damian J.,Squires, Neil H.,Lansdon, Eric B.

, p. 1131 - 1134 (2008/12/21)

A series of 3,4,5-trisubstituted 1,2,4-4H triazole derivatives was synthesized and investigated for HIV-1 reverse transcriptase inhibition. An X-ray structure with HIV-1 RT secured the binding mode and allowed the key interactions with the enzyme to be identified.

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

Kane,Staeger,Dalton,Miller,Dudley,Ogden,Kehne,Ketteler,McCloskey,Senyah,Chmielewski,Miller

, p. 125 - 132 (2007/10/02)

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-triazoles

-

, (2008/06/13)

This invention relates to derivatives of 3-aryl-5-alkylthio-4H-1,2,4-triazoles, to their pharmacological properties and to their use as muscle relaxants, spasmolytics, anticonvulsants and anxiolytics.

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