1627-37-8

Basic information

• Product Name: 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxo-
• Synonyms: 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxo-;Nsc38622;5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one;5-Thioxo-3,4-dihydro-1,2,4-triazin-3(2H)-one;5-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-3-one
• CAS NO: 1627-37-8
• Molecular Formula: C₃H₃N₃OS
• Molecular Weight: 129.14
• Mol File: 1627-37-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 431 °Cat760mmHg
• Flash Point: 214.4 °C
• Appearance: /
• Density: 1.79 g/cm³
• Vapor Pressure: 4.95E-08mmHg at 25°C
• Refractive Index: 1.812
• CAS DataBase Reference: 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxo-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxo-(1627-37-8)
• EPA Substance Registry System: 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxo-(1627-37-8)

Safety Data

• Hazardous Substances Data: 1627-37-8(Hazardous Substances Data)

Usage

Description

1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxois a heterocyclic chemical compound that belongs to the class of triazine derivatives. It features a triazine ring with a sulfur atom and a carbonyl group, which contributes to its diverse biological activities and versatile applications in the fields of medicinal and agricultural chemistry.

Uses

Used in Pharmaceutical Synthesis:
1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxois used as a key intermediate in the synthesis of various pharmaceuticals due to its antitumor, antiviral, and antibacterial properties. Its unique structure allows for the development of drugs that target a wide range of diseases and conditions.
Used in Agrochemical Production:
In the agrochemical industry, 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxoserves as an important intermediate in the production of herbicides and insecticides. Its incorporation into these products helps to enhance their effectiveness in controlling pests and unwanted plant growth, thereby contributing to increased crop yields and protection.
Used in Organic Synthesis:
1,2,4-Triazin-3(2H)-one, 4,5-dihydro-5-thioxois also utilized as an intermediate in organic synthesis, where its reactive functional groups can be further modified to create a variety of new compounds with different properties and applications. This makes it a valuable building block for the development of novel chemical entities in various industries.

InChI:InChI=1/C3H3N3OS/c7-3-5-2(8)1-4-6-3/h1H,(H2,5,6,7,8)

Upstream product

• 19172-47-5 Lawessons reagent 
• 461-89-2 6-azauracil 

Downstream Products

• 931-85-1 6-azacytosine 
• 57360-30-2 3-oxo-5-methylthio-2,3-dihydro-1,2,4-triazine 

Relevant articles and documents

Infrared spectra of 6-azathiouracils: An experimental matrix isolation and theoretical ab initio SCF/6-311G study

The infrared (IR) absorption spectra of 2-thio-6-azauracil, 4-thio-6-azauracil and 2,4-dithio-6-azauracil isolated in low-temperature Ar and N2 matrices are reported. These compounds have been found to exist in low-temperature matrices exclusively in the oxothione and dithione tautomeric forms. An assignment of the observed infrared bands is proposed on the basis of comparison of the experimental matrix spectra with the spectra calculated at the ab initio SCF/6-311G** level. The IR spectra of the title compounds are compared with the previously published IR spectra of matrix isolated 2-thiouracil, 4-thiouracil and 2,4-dithiouracil.

Cyclohexane derivatives difunctionalised in 1,4 as ligands of 5T H1A receptors

The invention concerns novel cyclohexane derivatives difunctionalised in 1.4 of general formula (1) in which A represents a group such as (IIa) in which Ar itself represents an aromatic structure such as phenyl or pyrimidinyl optionally substituted by one