49572-68-1

Basic information

• Product Name: 1-methyl-4-phenyl-3-thioxo-2,3-dihydro-1H-1,2,4-triazol-4-ium
• CAS NO: 49572-68-1
• Molecular Formula: C₉H₉N₃S
• Molecular Weight: 192.2603
• Mol File: 49572-68-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-methyl-4-phenyl-3-thioxo-2,3-dihydro-1H-1,2,4-triazol-4-ium(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-4-phenyl-3-thioxo-2,3-dihydro-1H-1,2,4-triazol-4-ium(49572-68-1)
• EPA Substance Registry System: 1-methyl-4-phenyl-3-thioxo-2,3-dihydro-1H-1,2,4-triazol-4-ium(49572-68-1)

Safety Data

• Hazardous Substances Data: 49572-68-1(Hazardous Substances Data)

Usage

Molecular Weight

217.27 g/mol

Structure

1-MPT contains a triazolyl ring system with a methyl group at the 1-position, a phenyl group at the 4-position, and a thioxo (sulfur-oxygen double bond) group at the 3-position. The triazolyl ring system consists of a five-membered ring with three nitrogen atoms and two carbon atoms.

Class

1-MPT belongs to the class of triazolyl compounds, which are organic compounds containing a triazole ring system.

Charge

1-MPT contains a positively charged nitrogen atom, making it a cationic compound.

Biological Activity

1-MPT has potential biological activities and is often used in pharmaceutical research for studying its pharmacological properties.

Reactivity

1-MPT's chemical structure and properties make it a valuable molecule for studying reactivity and binding interactions with other biomolecules.

Medicinal Research

1-MPT is of interest in medicinal and pharmaceutical research due to its potential pharmacological properties.

Upstream product

• 111971-24-5 2-phenylamino-4-methyl-1,3,4-thiadiazolium iodide 
• 21076-09-5 2-methyl-4-phenyl-3-thiosemicarbazide 
• 122-51-0 orthoformic acid triethyl ester 
• 3530-62-9 phenyl-[1,3,4]thiadiazol-2-yl-amine 

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.