84159-98-8

Basic information

• Product Name: 5-(4-ETHOXYPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
• Synonyms: ASISCHEM D51147;5-(4-ETHOXYPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
• CAS NO: 84159-98-8
• Molecular Formula: C₁₀H₁₀N₂O₂S
• Molecular Weight: 222.26
• Mol File: 84159-98-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: 175-176 °C(Solv: ethanol (64-17-5))
• Boiling Point: 305.4±44.0 °C(Predicted)
• Appearance: /
• Density: 1.33±0.1 g/cm3(Predicted)
• PKA: 4.42±0.70(Predicted)
• CAS DataBase Reference: 5-(4-ETHOXYPHENYL)-1,3,4-OXADIAZOLE-2-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-ETHOXYPHENYL)-1,3,4-OXADIAZOLE-2-THIOL(84159-98-8)
• EPA Substance Registry System: 5-(4-ETHOXYPHENYL)-1,3,4-OXADIAZOLE-2-THIOL(84159-98-8)

Safety Data

• Hazardous Substances Data: 84159-98-8(Hazardous Substances Data)

Upstream product

• 137-26-8 Thiram 
• 58586-81-5 4-ethoxybenzohydrazide 
• 619-86-3 4-(ethoxy)benzoic acid 
• 23676-09-7 ethyl 4-ethoxybenzoate 
• 75-15-0 carbon disulfide 
• 23676-08-6 methyl 4-ethoxybenzoate 

Downstream Products

• 1260218-07-2 2-(4-Ethoxyphenyl)-5-((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)thio)-1,3,4-oxadiazole 

Relevant articles and documents

Design, Synthesis and Evaluation of Antitubercular Activity of Novel 1,2,4-Triazoles Against MDR Strain of Mycobacterium tuberculosis

Emergence of various forms of resistant strains of Mycobacterium tuberculosis led to the exploration of drugs with novel mechanism of action. Recently econazole, an azole based antitubercular agent, attracted major attention for targeting mycobacterial cytochrome P450. In the present study, we designed novel 1,2,4-triazole derivatives based on econazole moiety and evaluated them for in vitro antitubercular activity against M. tuberculosis H37Rv and multi-drug resistant (MDR) strains of Mycobacterium.

Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents

A series of novel 1,3,4-oxadiazole thioether derivatives (compounds 9-44) were designed and synthesized as potential inhibitors of thymidylate synthase (TS) and as anticancer agents. The in vitro anticancer activities of these compounds were evaluated against three cancer cell lines by the MTT method. Among all the designed compounds, compound 18 bearing a nitro substituent exhibited more potent in vitro anticancer activities with IC50 values of 0.7 ± 0.2, 30.0 ± 1.2, 18.3 ± 1.4 μM, respectively, which was superior to the positive control. In the further study, it was identified as the most potent inhibitor against two kinds of TS protein (for human TS and Escherichia coli TS, IC50 values: 0.62 and 0.47 μM, respectively) in the TS inhibition assay in vitro and the most potent antibacterial agents with MIC (minimum inhibitory concentrations) of 1.56-3.13 μg/mL against the tested four bacterial strains. Molecular docking and 3D-QSAR study supported that compound 18 can be selected as dual antitumor/antibacterial candidate in the future study.

Synthesis of novel 5-aryl-2-thio-1,3,4-oxadiazoles and the study of their structure-anti-mycobacterial activities

The preparation of novel 5-aryl-2-thio-1,3,4-oxadiazoles 4a-41 and the computer-aided study of their in vitro anti-tubercular activity against Mycobacterium tuberculosis H37Rv (ATCC 27294) are reported. The average accuracy of the electronic-topological method and neural network methods applied to the activity prediction in leave-one-out cross validation is 80%.