51291-31-7

Basic information

• Product Name: 5-BENZYL-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: Albb-003321;5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE);4-methyl-5-(phenylmethyl)-2H-1,2,4-triazole-3-thione;5-(benzyl)-4-methyl-2H-1,2,4-triazole-3-thione;5-benzyl-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS NO: 51291-31-7
• Molecular Formula: C₁₀H₁₁N₃S
• Molecular Weight: 205.28
• Mol File: 51291-31-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 300.4 °C at 760 mmHg
• Flash Point: 135.5 °C
• Appearance: /
• Density: 1.24 g/cm³
• Vapor Pressure: 0.00112mmHg at 25°C
• Refractive Index: 1.659
• CAS DataBase Reference: 5-BENZYL-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BENZYL-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL(51291-31-7)
• EPA Substance Registry System: 5-BENZYL-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL(51291-31-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 51291-31-7(Hazardous Substances Data)

Usage

General Description

5-Benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is a chemical compound with the molecular formula C10H10N3S. It is a member of the triazole family and contains a thiolic sulfur atom. 5-BENZYL-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL has potential applications in organic synthesis and pharmaceutical research due to its unique structure and reactivity. The benzyl and methyl groups provide additional chemical diversity and potential for functionalization, making it a valuable building block in the development of new compounds with potential biological activity. The triazole structure also confers stability and bioactivity to the molecule, making it a valuable scaffold in drug design and discovery.

InChI:InChI=1/C10H11N3S/c1-13-9(11-12-10(13)14)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)

Upstream product

• 67-56-1 methanol 
• 124-41-4 sodium methylate 
• 101-97-3 Ethyl 2-phenylethanoate 
• 6610-29-3 4-methylthiosemicarbazide 
• 100-44-7 benzyl chloride 
• 81678-27-5 3-benzylmercapto-4-methyl-1,2,4-triazole 

Relevant articles and documents

Mild Condition for the Deoxygenation of α-Heteroaryl-Substituted Methanol Derivatives

A mild condition via PPh3/I2/imidazole for the deoxygenation of substituted methanol derivatives has been identified. This metal-free process was found to proceed well on secondary or tertiary alcohols substituted with one or two heteroaryl groups, and it tolerates acid-sensitive heterocycles. This condition works for methanol derivatives substituted with 2-pyridyl, 4-pyridyl, or other heterocyclic groups, allowing the negative charge formed during the reaction to resonate to a nitrogen atom. Methanol derivatives substituted with 3-pyridyl or heterocyclic groups that do not allow the negative charge formed during the reaction to resonate to a nitrogen atom will not undergo deoxygenation under this condition.