7411-18-9

Basic information

• Product Name: 3-METHYLTHIO-4H-1,2,4-TRIAZOLE
• Synonyms: 3-METHYLTHIO-4H-1,2,4-TRIAZOLE;BUTTPARK 82\04-72;1H-1,2,4-Triazole,3-(methylthio)-(9CI);3-(METHYLTHIO)-1,2,4-TRIAZOLE;3-(Methylthio)-1H-1,2,4-triazole;5-methylsulfanyl-1H-1,2,4-triazole
• CAS NO: 7411-18-9
• Molecular Formula: C₃H₅N₃S
• Molecular Weight: 115.16
• Product Categories: THIOL
• Mol File: 7411-18-9.mol
• Article Data: 1

Chemical Properties

• Melting Point: 102-104
• Boiling Point: 293.6 °C at 760 mmHg
• Flash Point: 131.4 °C
• Appearance: /
• Density: 1.35 g/cm³
• Vapor Pressure: 0.00171mmHg at 25°C
• Refractive Index: 1.593
• CAS DataBase Reference: 3-METHYLTHIO-4H-1,2,4-TRIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYLTHIO-4H-1,2,4-TRIAZOLE(7411-18-9)
• EPA Substance Registry System: 3-METHYLTHIO-4H-1,2,4-TRIAZOLE(7411-18-9)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 7411-18-9(Hazardous Substances Data)

Usage

Description

3-METHYLTHIO-4H-1,2,4-TRIAZOLE is a thioether derivative of 1,2,4-triazole with the molecular formula C4H6N2S, featuring a methyl group attached to the sulfur atom. This chemical compound is known for its applications in agriculture and organic synthesis, while also being recognized as a mild skin irritant that requires careful handling to prevent adverse effects on aquatic organisms.

Uses

Used in Agricultural Industry:
3-METHYLTHIO-4H-1,2,4-TRIAZOLE is used as a fungicide for protecting crops from fungal diseases, ensuring their health and productivity. Its role in plant growth regulation also promotes crop development, contributing to enhanced agricultural yields.
Used in Pharmaceutical Industry:
As an intermediate in the synthesis of pharmaceuticals, 3-METHYLTHIO-4H-1,2,4-TRIAZOLE plays a crucial role in the development of various medicinal compounds, highlighting its importance in the healthcare sector.
Used in Dye Industry:
3-METHYLTHIO-4H-1,2,4-TRIAZOLE is utilized in the synthesis of dyes, contributing to the production of a range of colorants used in different industries, such as textiles and plastics.
Used in Organic Synthesis:
3-METHYLTHIO-4H-1,2,4-TRIAZOLE serves as a key intermediate in the synthesis of other organic compounds, showcasing its versatility and applicability in multiple chemical reactions and processes.

InChI:InChI=1/C3H5N3S/c1-7-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)

Upstream product

• 108923-82-6 1-anilinomethylene thiosemicarbazide 
• 74-88-4 methyl iodide 
• 186581-53-3 diazomethane 
• 3179-31-5 2,4-dihydro-[1,2,4]triazole-3-thione 

Downstream Products

• 1029125-29-8 Ethyl 1-(2-fluorobenzyl)-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazole-3-carboxylate 
• 1626400-12-1 C₁₁H₁₂N₄S 
• 1626400-84-7 C₁₃H₁₆N₄S 
• 1626400-88-1 C₁₃H₁₆N₄S 
• 1626400-87-0 C₁₃H₁₄N₄S 
• 65103-33-5 2-(4-pentenyl)-5-phenyltetrazole 
• 1092852-23-7 1-(3-methylthio-1H-1,2,4-triazol-1-yl)-4-phenyl-2-butanone 
• 1093058-65-1 1-(5-methylthio-1H-1,2,4-triazol-1-yl)-4-phenyl-2-butanone 

Relevant articles and documents

Preparation and 13C NMR Spectra of Some Azolones, Azolothiones and Their Methoxy and Methylmercapto Relatives

13C NMR chemical shifts are reported for the title compounds.The use of these data for investigating potential equilibria between azolones and azolothiones on the one hand and methoxy and methylmercaptoazoles on the other, is discussed.It is concluded that only qualitatively reliable estimates of the position of equilibrium are available.