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

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

Uses

Used in Organic Synthesis:
5-Benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is used as a building block in organic synthesis for its unique structure and reactivity. The benzyl and methyl groups provide additional chemical diversity, allowing for the development of new compounds with potential applications in various fields.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 5-Benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is used as a valuable scaffold in drug design and discovery. Its triazole structure confers stability and bioactivity, making it suitable for the development of new drugs with potential therapeutic effects.
Used in Drug Development:
5-Benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is utilized in drug development as a key component in the creation of new pharmaceutical compounds. Its unique structure and reactivity, along with the potential for functionalization provided by the benzyl and methyl groups, contribute to the discovery of novel drugs with potential biological activity.

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.

PHOTOCHEMISTRY OF AZOLES, PART VII. PHOTOSOLVOLYSIS OF ALKYLMERCAPTOAZOLES. AN APPLICATION TO SOME ACYCLIC MONOTERPENE DERIVATIVES

Salts derived from 2-alkylmercapto-1-methylimidazoles 1b-e and 3-alkylmercapto-4-methyl-1,2,4-triazoles 2b-d have been found to undergo photochemical heterolytic fission of the S-alkyl bond in aqueous or methanolic solution to give solvolysis-type products.