Description

4-Allyl-5-(4,5,6,7-Tetrahydro-1-Benzothien-3-Yl)-4H-1,2,4-Triazole-3-Thiol is a high-purity, advanced heterocyclic building block with a unique fused-ring structure. This compound matters as a critical intermediate for the synthesis of novel pharmaceuticals and agrochemicals, enabling the development of products with enhanced biological activity. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for creating new active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and antimicrobials.
• Agrochemical Research: Serves as a core scaffold for developing new-generation herbicides, fungicides, and insecticides with improved efficacy and selectivity.
• Material Science: Used in the research and development of specialty polymers, ligands for catalysis, and organic electronic materials due to its conjugated system.
• Chemical Biology Probe: Employed in academic and industrial research to study enzyme inhibition and protein-ligand interactions.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for scale-up and production under cGMP conditions.

Basic Information

Product Name	4-Allyl-5-(4,5,6,7-Tetrahydro-1-Benzothien-3-Yl)-4H-1,2,4-Triazole-3-Thiol
CAS No.	522597-46-2
Molecular Formula	C₁₄H₁₅N₃S₂
Molecular Weight	289.42 g/mol
Synonyms	4-Allyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol; 4-Allyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-4H-1,2,4-triazole-3-thiol; 3-Thiol-4-allyl-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole; 4H-1,2,4-Triazole-3-thiol, 4-allyl-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-; CAS 522597-46-2
EINECS	Contact for details

Quality Control

Our 4-Allyl-5-(4,5,6,7-Tetrahydro-1-Benzothien-3-Yl)-4H-1,2,4-Triazole-3-Thiol is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and available upon request. We support development and commercial projects requiring compliance with ICH guidelines and cGMP standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is easily oxidized and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage or when opening the primary container to minimize degradation. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Purity (HPLC)	≥ 98.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.