41421-07-2

Basic information

• Product Name: 5-(3-NITROPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
• Synonyms: 1,3,4-Oxadiazole-2-thiol, 5-(3-nitrophenyl)-; 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol
• CAS NO: 41421-07-2
• Molecular Formula: C₈H₅N₃O₃S
• Molecular Weight: 223.2086
• Mol File: 41421-07-2.mol
• Article Data: 28

Chemical Properties

• Boiling Point: 331.7°Cat760mmHg
• Flash Point: 154.4°C
• Appearance: /
• Density: 1.66g/cm³
• Vapor Pressure: 0.000153mmHg at 25°C
• Refractive Index: 1.751
• CAS DataBase Reference: 5-(3-NITROPHENYL)-1,3,4-OXADIAZOLE-2-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(3-NITROPHENYL)-1,3,4-OXADIAZOLE-2-THIOL(41421-07-2)
• EPA Substance Registry System: 5-(3-NITROPHENYL)-1,3,4-OXADIAZOLE-2-THIOL(41421-07-2)

Safety Data

• Hazardous Substances Data: 41421-07-2(Hazardous Substances Data)

Usage

General Description

5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol is a chemical compound with the molecular formula C9H6N4O2S. It is a heterocyclic compound that contains a 1,3,4-oxadiazole ring and a thiol functional group. 5-(3-NITROPHENYL)-1,3,4-OXADIAZOLE-2-THIOL is known for its use in organic synthesis and as a building block for pharmaceuticals and agrochemicals. It has been studied for its potential medicinal properties, including anti-bacterial and anti-cancer activities. Additionally, it has been used as a fluorescent probe for detecting biological molecules and as a photoactive material for optoelectronic devices. As a versatile and multifunctional compound, 5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thiol has a wide range of potential applications in various fields of science and industry.

InChI:InChI=1/C8H5N3O3S/c12-11(13)6-3-1-2-5(4-6)7-9-10-8(15)14-7/h1-4H,(H,10,15)

Upstream product

• 618-94-0 3-nitrobenzoic acid hydrazide 
• 121-92-6 3-nitrobenzoic acid 
• 618-95-1 methyl 3-nitrobenzoate 
• 79-19-6 thiosemicarbazide 
• 618-98-4 ethyl 3-nitrobenzoate 
• 140-92-1 potassium isopropylxanthate 
• 63467-57-2 potassium ethyldithiocarbamate 
• 75-15-0 carbon disulfide 

Downstream Products

• 1268161-57-4 S-(5-(3-nitrophenyl)-4-amino-1,2,4-triazole-3-yl) naphthalene-1-carbothioate 
• 1268161-61-0 S-(5-(3-nitrophenyl)-4-amino-1,2,4-triazole-3-yl) heptanethioate 
• 1268161-64-3 S-(5-(3-nitrophenyl)-4-amino-1,2,4-triazole-3-yl) benzothioate 
• 105686-75-7 5-(3-nitrophenyl)-4-amino-1,2,4-triazole-3-thiol 

Relevant articles and documents

Multi-activity tetracoordinated pallado-oxadiazole thiones as anti-inflammatory, anti-Alzheimer, and anti-microbial agents: Structure, stability and bioactivity comparison with pallado-hydrazides

Herein, we report a comparative study based on structure, thermal and solution stability, and biopotency against lipoxygenase (LOX), butyrylcholinesterase (BChE) and microbes for Pd(II) compounds of N,O,S bearing 5-(C5H4XR)-1,3,4-oxa

Design, synthesis, in vitro and in vivo evaluation against MRSA and molecular docking studies of novel pleuromutilin derivatives bearing 1, 3, 4-oxadiazole linker

A class of pleuromutilin derivatives containing 1, 3, 4-oxadiazole were designed and synthesized as potential antibacterial agents against Methicillin-resistant staphylococcus aureus (MRSA). The ultrasound-assisted reaction was proposed as a green chemistry method to synthesize 1, 3, 4-oxadiazole derivatives (intermediates 85–110). Among these pleuromutilin derivatives, compound 133 was found to be the strongest antibacterial derivative against MRSA (MIC = 0.125 μg/mL). Furthermore, the result of the time-kill curves displayed that compound 133 could inhibit the growth of MRSA in vitro quickly (- 4.36 log10 CFU/mL reduction). Then, compound 133 (- 1.82 log10 CFU/mL) displayed superior in vivo antibacterial efficacy than tiamulin (- 0.82 log10 CFU/mL) in reducing MRSA load in mice thigh model. Besides, compound 133 exhibited low cytotoxicity to RAW 264.7 cells. Molecular docking studies revealed that compound 133 was successfully localized in the binding pocket of 50S ribosomal subunit (ΔGb = -10.50 kcal/mol). The results indicated that these pleuromutilin derivatives containing 1, 3, 4-oxadiazole might be further developed into novel antibiotics against MRSA.

Pleuromutilin derivative with 1, 3, 4-oxadiazole side chain and preparation and application thereof

The invention belongs to the field of medicinal chemistry, and particularly relates to a pleuromutilin derivative with a 1, 3, 4-oxadiazole side chain and preparation and application thereof The pleuromutilin derivative with the 1, 3, 4-oxadiazole side chain is a compound shown in a formula 2 or a pharmaceutically acceptable salt thereof, and a solvent compound, an enantiomer, a diastereoisomer and a tautomer of the compound shown in the formula 2 or the pharmaceutically acceptable salt thereof or a mixture of the solvent compound, the enantiomer, the diastereoisomer and the tautomer in any proportion, including a racemic mixture. The pleuromutilin derivative has good antibacterial activity, is especially suitable for being used as a novel antibacterial agent for systemic system infection of animals or human beings, and has good water solubility.