352018-98-5

Basic information

• Product Name: 4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: 4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
• CAS NO: 352018-98-5
• Molecular Formula: C₈H₉N₅S₂
• Molecular Weight: 239.32
• Mol File: 352018-98-5.mol

Chemical Properties

• Melting Point: 212℃
• Boiling Point: 462.1°C at 760 mmHg
• Flash Point: 233.3°C
• Appearance: /
• Density: 1.87g/cm³
• Vapor Pressure: 1.01E-08mmHg at 25°C
• Refractive Index: 1.976
• PKA: 7.09±0.20(Predicted)
• CAS DataBase Reference: 4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL(352018-98-5)
• EPA Substance Registry System: 4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL(352018-98-5)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 352018-98-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL is used as a potential drug candidate for the development of new medications to treat various infections. Its antifungal and antibacterial properties make it a valuable asset in the ongoing battle against resistant strains of pathogens.
Used in Organic Chemistry Research:
In the realm of organic chemistry, 4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL serves as a research tool, enabling scientists to explore its chemical properties and interactions with other compounds. This can lead to the discovery of new reactions or mechanisms, contributing to the broader understanding of organic chemistry and potentially uncovering new applications for 4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL.
Further studies on the properties and potential applications of 4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL are essential to fully realize its medical and industrial uses, providing valuable insights that could lead to innovative solutions in healthcare and chemical research.

InChI:InChI=1/C8H9N5S2/c1-4-6(15-12-9-4)7-10-11-8(14)13(7)5-2-3-5/h5H,2-3H2,1H3,(H,11,14)

Upstream product

• 1393674-29-7 N-cyclopropyl-2-(4-methyl-1,2,3-thiadiazole-5-carbonyl)hydrazinecarbothioamide 

Downstream Products

• 1352551-58-6 C₁₅H₁₄FN₅S₂ 
• 1352551-68-8 5-(5-((2-chlorobenzyl)thio)-4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 
• 1352551-63-3 5-(5-((3-chlorobenzyl)thio)-4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 
• 1352551-65-5 5-(5-((4-chlorobenzyl)thio)-4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 
• 1352551-61-1 5-(4-cyclopropyl-5-((2,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 
• 1352551-62-2 5-(4-cyclopropyl-5-((3,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 
• 1352551-64-4 5-(5-((4-(tert-butyl)benzyl)thio)-4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 
• 1352551-67-7 5-(4-cyclopropyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 
• 1352551-69-9 5-(5-(benzylthio)-4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 
• 1352551-70-2 3-(((4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazol-3-yl)thio) methyl) benzonitrile 

Relevant articles and documents

Synthesis, Crystal Structure, and Biological Activity of Some Novel Sulfoxide Compounds Containing 1,2,3-Thiadiazole Moiety

Some new sulfoxide compounds containing 1,2,3-thiadiazole moiety were synthesized from diethyl carbonate and hydrazine hydrate by multi-step reactions. Their structures were confirmed by NMR, MS, and elemental analysis. One of the title compounds, 5-(4-cyclopropyl-5-((3-fluorobenzyl)sulfinyl)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole (C15H14FN5OS2), was structurally determined by a single crystal X-ray diffraction study. The biological activity of the title compound was determined, and the results showed that it displays moderate biological activities.

Synthesis and antifungal activity of novel 1,2,4-triazole derivatives containing 1,2,3-thiadiazole moiety

Starting from carbonic acid diethyl ester, a series of 1,2,4-triazole derivatives containing 1,2,3-thiadiazole were synthesized. Reactions were performed by microwave irradiation or ultrasonic irradiation as well as by conventional heating. The structure of title compounds was characterized by 1H-NMR, MS, and elemental analyses. The fungicidal activities of these compounds were tested in vivo. Most of title compounds exhibited good antifungal activity against Pseudoperonospora cubensis. Some of title compounds displayed moderate antifungal activities against Fusarium oxysporum, Pseudoperonospora cubensis, Sphaerotheca fuligenea, Corynespora cassiicola, and Xanthomonas axonopodis.

Synthesis, crystal structure, and biological activity of a novel 1,2,3-thiadiazole compound containing 1,2,4-triazole moiety

A new 1,2,3-thiadiazole compound containing 1,2,4-triazole moiety, C1 5H14FN5 O2S2, has been synthesized and the crystal structure was determined by single crystal X-ray diffraction study. The biological activity of the title compound was determined and the results showed that title compounds 10 showed higher inhibition abilities of rape root than the control cyclopropane-1,1-dicarboxylic acid at 100 μg/mL (73%) and weak activity against Echinochloa crusgalli (28%) and KARI (35%) at 100 μg/mL. [Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements for the following free supplemental files: additional text, figures, tables.]

Microwave assisted synthesis, antifungal activity and DFT theoretical study of some novel,1,2,4-triazole derivatives containing the 1,2,3-thiadiazole moiety

In order to investigate the biological activity of 1,2,4-triazole compounds, seventeen novel 1,2,4-triazole derivatives containing 1,2,3-thiadiazole moieties were synthesized by multi-step reactions under microwave assisted conditions. The structures were characterized by 1H-NMR, 13C-NMR, MS and elemental analyses. The target compounds were evaluated for their in vivo fungicidal activities against Corynespora cassiicola, Pseudomonas syringae pv. Lachrymans, and Pseudoperonospora cubensis, and the results indicated that some of the title compounds displayed good fungicidal activities. Theoretical calculations on the title compounds were carried out at the B3LYP/6-31G (d,p). level. The full geometry optimization was carried out using the 6-31G(d,p) basis set, and the frontier orbital energy, atomic net charges were discussed, and the structure-activity relationships were also studied.