Description

4-Ethyl-5-(6-Methyl-4,5,6,7-Tetrahydro-1-Benzothien-3-Yl)-4H-1,2,4-Triazole-3-Thiol is a high-value, heterocyclic organic compound featuring a fused benzothiophene and triazole-thiol core structure. This complex molecular architecture makes it a critical advanced intermediate for pharmaceutical research and fine chemical synthesis, particularly in the development of novel active pharmaceutical ingredients (APIs). It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing molecules with targeted biological activity.

Application

This specialized triazole-thiol derivative serves as a versatile building block in advanced organic synthesis. Its primary applications include:

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, especially those targeting central nervous system (CNS) disorders, infectious diseases, or metabolic conditions.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides, leveraging the bioactivity of the triazole and benzothiophene motifs.
• Ligand Synthesis: The thiol and nitrogen-rich heterocycle can be utilized to create complex ligands for catalysis or metal-organic frameworks (MOFs).
• Material Science Precursor: Potential building block for organic electronic materials or polymers due to its conjugated system and functional groups.
• Chemical Biology Probe: Useful for designing molecular probes to study enzyme function or biological pathways.

Basic Information

Product Name	4-Ethyl-5-(6-Methyl-4,5,6,7-Tetrahydro-1-Benzothien-3-Yl)-4H-1,2,4-Triazole-3-Thiol
CAS No.	438231-18-6
Molecular Formula	C₁₃H₁₅N₃S₂
Molecular Weight	277.41 g/mol
Synonyms	4-Ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol; 3-Thiol-4-ethyl-5-(6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-1,2,4-triazole; 4-Ethyl-5-(6-methyl-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)-4H-1,2,4-triazole-3-thiol; CAS 438231-18-6
EINECS	Contact for details

Quality Control

We maintain stringent quality control protocols for this advanced intermediate to ensure batch-to-batch consistency and reliability for your critical research and development processes. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to verify identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at controlled room temperature (typically 15-25°C). This compound may be moisture-sensitive; keep the container tightly sealed in a dry environment.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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