21358-12-3

Basic information

• Product Name: 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL;Albb-003323;4-allyl-5-benzyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE);4-allyl-5-(benzyl)-2H-1,2,4-triazole-3-thione;4-allyl-5-(phenylmethyl)-2H-1,2,4-triazole-3-thione;5-(phenylmethyl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione
• CAS NO: 21358-12-3
• Molecular Formula: C₁₂H₁₃N₃S
• Molecular Weight: 231.32
• Mol File: 21358-12-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 331.3°C at 760 mmHg
• Flash Point: 154.2°C
• Appearance: /
• Density: 1.17g/cm³
• Vapor Pressure: 0.000157mmHg at 25°C
• Refractive Index: 1.629
• CAS DataBase Reference: 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL(21358-12-3)
• EPA Substance Registry System: 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL(21358-12-3)

Safety Data

• Hazardous Substances Data: 21358-12-3(Hazardous Substances Data)

Usage

Description

4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL is a chemical compound belonging to the 1,2,4-triazole derivatives class. It is a thiol compound with a sulfur atom bonded to a triazole ring, featuring allyl and benzyl groups that enhance its reactivity and versatility. 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL holds potential in various fields, including organic synthesis, medicinal chemistry, and material science, due to its capacity to engage in diverse chemical reactions and form multiple types of bonds.

Uses

Used in Organic Synthesis:
4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL is used as a reactive intermediate for the synthesis of various organic compounds. Its unique structure allows it to participate in a wide range of chemical reactions, making it a valuable building block in the creation of complex organic molecules.
Used in Medicinal Chemistry:
In the pharmaceutical industry, 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL is used as a key component in the development of new drugs. Its ability to form different types of bonds enables the design of novel molecular structures with potential therapeutic properties. Further research into its applications may lead to the discovery of new pharmaceuticals with improved efficacy and safety profiles.
Used in Material Science:
4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL is utilized as a precursor in the synthesis of advanced materials with unique properties. Its versatility in forming various types of bonds allows for the creation of materials with tailored characteristics, such as improved mechanical strength, thermal stability, or specific optical properties. 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL has the potential to contribute to the development of innovative materials for various applications, including electronics, coatings, and sensors.
Used in Agrochemicals:
In the agrochemical industry, 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL is employed as a building block for the synthesis of new agrochemicals. Its reactivity and ability to form different types of bonds make it a promising candidate for the development of novel pesticides, herbicides, or other agricultural chemicals with enhanced performance and reduced environmental impact.
Overall, 4-ALLYL-5-BENZYL-4H-1,2,4-TRIAZOLE-3-THIOL is a versatile and promising chemical compound with potential applications across various industries. Its unique structure and reactivity make it an invaluable asset in the development of new products and technologies. Further research and exploration of its properties will likely uncover additional applications and contribute to advancements in multiple fields.

InChI:InChI=1/C12H13N3S/c1-2-8-15-11(13-14-12(15)16)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,16)

Upstream product

• 57-06-7 N-allyl isothiocyanate 

Downstream Products

• 1346957-88-7 (S)-2-amino-3-(3-benzyl-4-allyl-5-thio-1,2,4-triazol-1-yl)-propionic acid 
• 96293-17-3 (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide 

Relevant articles and documents

SYNTHESES OF ALLYL DERIVATIVES OF 1,2,4-TRIAZOLE AND 1,3,4-THIADIAZOLE

-