22278-81-5

Basic information

• Product Name: 4-AMINO-3-MERCAPTO-6-METHYL-4H-[1,2,4]TRIAZIN-5-ONE
• Synonyms: 4-amino-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one;4-amino-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one
• CAS NO: 22278-81-5
• Molecular Formula: C₄H₆N₄OS
• Molecular Weight: 158.18
• Mol File: 22278-81-5.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 255.1°Cat760mmHg
• Flash Point: 108.1°C
• Appearance: /
• Density: 1.75g/cm³
• Vapor Pressure: 0.0166mmHg at 25°C
• Refractive Index: 1.793
• CAS DataBase Reference: 4-AMINO-3-MERCAPTO-6-METHYL-4H-[1,2,4]TRIAZIN-5-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-3-MERCAPTO-6-METHYL-4H-[1,2,4]TRIAZIN-5-ONE(22278-81-5)
• EPA Substance Registry System: 4-AMINO-3-MERCAPTO-6-METHYL-4H-[1,2,4]TRIAZIN-5-ONE(22278-81-5)

Safety Data

• Hazardous Substances Data: 22278-81-5(Hazardous Substances Data)

Usage

General Description

4-AMINO-3-MERCAPTO-6-METHYL-4H-[1,2,4]TRIAZIN-5-ONE is a compound with the molecular formula C4H5N3O2S. It is a heterocyclic compound that contains a triazine ring and a thiol functional group. This chemical is commonly used as an intermediate in the synthesis of various pharmaceutical and agricultural chemicals. It is also used as an intermediate in the synthesis of dyes and pigments. Additionally, 4-AMINO-3-MERCAPTO-6-METHYL-4H-[1,2,4]TRIAZIN-5-ONE may be used as a reagent in organic chemistry reactions. Due to its functional groups and reactivity, this compound has various potential applications in the fields of medicine, agriculture, and chemical synthesis.

InChI:InChI=1/C4H6N4OS/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10)

Upstream product

• 113-24-6 sodium pyruvate 
• 2231-57-4 Thiocarbohydrazide 
• 127-17-3 2-oxo-propionic acid 

Downstream Products

• 43029-26-1 7-(4-methoxy-phenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 
• 43029-28-3 7-(4-chloro-phenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 
• 43029-29-4 3-methyl-7-(4-nitro-phenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 
• 7484-41-5 4-benzylideneamino-6-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one 
• 43098-57-3 7-phenyl-3-methyl-4-oxo-4H-1,3,4-thiadiazolo<2,3-c>-1,2,4-triazine 
• 864369-35-7 2-phenyl-8-methyl-6H-1,2,4-triazolo[1,5-d]1,2,4-triazine-5-thione 
• 952576-47-5 3-Mercapto-4-{[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-amino}-6-methyl-4H-[1,2,4]triazin-5-one 
• 615-76-9 6-aza-2-thiothymine 
• 68469-24-9 8-dihydro-3-methyl-7-phenyl-4-one[1,2,4]triazino[3,4-b][1,3,4]thiadiazine 
• 68469-27-2 7-(p-chlorophenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one 
• 833460-21-2 4-amino-3-(2-(p-chlorophenyl)-2-oxoethylsulfanyl)-6-methyl-1,2,4-triazin-5(4H)-one 
• 833460-19-8 4-amino-3-(2-(p-methoxyphenyl)-2-oxoethylsulfanyl)-6-methyl-1,2,4-triazin-5(4H)-one 
• 1083071-59-3 7-(p-methoxyphenyl)-3-methyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one 
• 1313238-66-2 6-bromo-3-(6-methyl-5-oxo-3-thioxo-2,5-dihydro-3H-[1,2,4]triazin-4-yl)-2-phenyl-3H-quinazolin-4-one 

Relevant articles and documents

Experimental and theoretical study on the regioselective synthesis and reaction of some bis- and poly(3-mercapto-1,2,4-triazin-5(4H)-one) derivatives

The synthetic utility of 3-thioxo-1,2,4-triazin-5-ones 1 and 4-amino-3-mercapto-1,2,4-triazin-5(4H)-ones 2 as building blocks for novel bis- and poly(1,2,4-triazines) via alkylation with the corresponding bis- and poly(halo) compounds was investigated. Prediction of the site of alkylation has been confirmed using spectroscopic data. Theoretical calculation using hybrid density functional method wb97xd and 6-311++g(d,p) as basis set was implemented to investigate the reaction products energetics parameters. The atomic charges were calculated and discussed in details using three different methods. The transition state search were implemented to estimate the Gibbs free activation energy barrier of the reaction to emphasis the experimental results.

Crystal and Molecular Structures of Mononuclear Coordinated Copper(I) Complexes with Thio-triazole and Thio-triazine based Schiff base Ligands

Reaction of 4-amino-5-methyl-1,2,4-triazol-3(2H)-thione (AMTT) and 4-amino-6-methyl-3-thio-3,4-dihydro-1,2,4-triazin-5(2H)-one (AMTTO) with 2-hydroxybenzaldehyde led to the synthesis of corresponding Schiff base ligands [(Z)-4-((2-hydroxybenzylidene)amino

Synthesis and biological studies of some new thiadiazolo [2,3-a] 1,2,4-triazin-5-ones

Treatment of thiocarbohydrazide 2 with pyruvic acid 1 in ethanol affords 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one 3. Cyclization of 3 with various aromatic acids in presence of phosphorus oxychloride yields 2-substituted -6-methyI-4H-1,3,4-thiadiazolo [2,3-c], 1,2,4-triazin-5-ones (4a-j). The structures of the newly synthesized compounds have been established by means of IR, Mass, 1H NMR spectral data. All the new compounds (4a-j) were evaluated for their antibacterial and antifungal activities.