49572-71-6

Basic information

• Product Name: 1,4-dimethyl-3-thioxo-2,3-dihydro-1H-1,2,4-triazol-4-ium
• CAS NO: 49572-71-6
• Molecular Formula: C₄H₈N₃S
• Molecular Weight: 130.1909
• Mol File: 49572-71-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,4-dimethyl-3-thioxo-2,3-dihydro-1H-1,2,4-triazol-4-ium(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-dimethyl-3-thioxo-2,3-dihydro-1H-1,2,4-triazol-4-ium(49572-71-6)
• EPA Substance Registry System: 1,4-dimethyl-3-thioxo-2,3-dihydro-1H-1,2,4-triazol-4-ium(49572-71-6)

Safety Data

• Hazardous Substances Data: 49572-71-6(Hazardous Substances Data)

Usage

Type of compound

Heterocyclic organic compound

Ring system

1,2,4-Triazole

Additional functional groups

Thioxo group and methyl groups

Charge

Cation (net positive charge)

Common form

Salt in its ionic form

Applications

a. Pharmaceuticals
b. Agrochemicals
c. Scientific research

Use in research

Building block for the synthesis of other organic compounds

Biological activity

Potential due to heterocyclic nature

Upstream product

• 6621-75-6 2,4-dimethylthiosemicarbazide 
• 122-51-0 orthoformic acid triethyl ester 

Relevant articles and documents

A Study of the Behaviour of 2,4-Substituted Thiosemicarbazides toward Orthoesters: Formation of Mesoionic Compounds

The reactions beetwen 2,4-disubstituted thiosemicarbazides and orthoesters in refluxing xylene led to the formation of the 1,2,4-triazoline-5-thione ring and to the 1,2,4-triazolium-5-thiolate ring. The formation of the mesoionic componds is due to rearrangement of the easily available 2,4-disubstituted thiosemicarbazides to 1,4-disubstituted thiosemicarbazides under the reaction conditions adopted. This method can be usefully used for the synthesis of mesoionic compounds, especially in the case of the 2-methyl-4-phenylthiosemicarbazide.