113698-50-3

Basic information

• Product Name: 3,5-bis(methylsulfanyl)-N-[(E)-(5-nitrofuran-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
• Synonyms: 4H-1,2,4-Triazol-4-amine, 3,5-bis(methylthio)-N-[(5-nitro-2-furanyl)methylene]-
• CAS NO: 113698-50-3
• Molecular Formula: C₉H₉N₅O₃S₂
• Molecular Weight: 299.3295
• Mol File: 113698-50-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 530.01°C at 760 mmHg
• Flash Point: 274.34°C
• Density: 1.621g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.739
• CAS DataBase Reference: 3,5-bis(methylsulfanyl)-N-[(E)-(5-nitrofuran-2-yl)methylidene]-4H-1,2,4-triazol-4-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-bis(methylsulfanyl)-N-[(E)-(5-nitrofuran-2-yl)methylidene]-4H-1,2,4-triazol-4-amine(113698-50-3)
• EPA Substance Registry System: 3,5-bis(methylsulfanyl)-N-[(E)-(5-nitrofuran-2-yl)methylidene]-4H-1,2,4-triazol-4-amine(113698-50-3)

Safety Data

• Hazardous Substances Data: 113698-50-3(Hazardous Substances Data)

Upstream product

• 698-63-5 5-nitrofurane-2-carboxaldehyde 
• 21532-04-7 4-amino-3,5-bis(methylthio)<1,2,4>triazole 

Relevant articles and documents

Formal potentials of new analogues of nifurtimox: Relationship to activity

Electrochemical studies (Formal Potentials and Coulometry) were performed on several analogues of Nifurtimox, in order to gain insight on the proposed mechanism of action of these drugs. It is thought that Nifurtimox shows part of its trypanocidal activity via an electron transfer process, leading to the production of active oxygen species that kill the parasite. Formal potentials provide relevant data about the feasibility of electron transfer in vivo. All analogues tested contained the nitro group, which is the most easily reducible group in the parent drug Nifurtimox. The formal potentials values determined ranged from -1,86 to -0,46 V. Coulometric runs were carried out to study the one-electron transfer process. A good correlation between formal potentials and biological activity was found.