Description

4-[(4-Fluorophenyl)Methylideneamino]-5-Propan-2-Yl-2H-1,2,4-Triazole-3(4H)-Thione is a specialized heterocyclic organic compound featuring a 1,2,4-triazole core functionalized with a fluorinated benzylideneamino group and an isopropyl substituent. This molecular architecture makes it a valuable advanced pharmaceutical intermediate and a versatile building block for medicinal chemistry research. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients. The compound's structure is designed to impart specific biological activity and physicochemical properties to target molecules.

Application

This high-purity intermediate is engineered for precision synthesis in research and industrial-scale production. Key application areas include:

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and antimicrobials.
• Agrochemical Research: Used as a key scaffold for developing new generation fungicides, herbicides, and plant growth regulators, leveraging the bioactivity of the triazole-thione moiety.
• Medicinal Chemistry & SAR Studies: Employed as a building block for structure-activity relationship (SAR) studies to optimize potency, selectivity, and pharmacokinetic properties of lead compounds.
• Chemical Biology Probes: Utilized in the design and synthesis of chemical probes for investigating enzyme mechanisms and biological pathways.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke molecules for clinical trials.

Basic Information

Item	Details
Product Name	4-[(4-Fluorophenyl)Methylideneamino]-5-Propan-2-Yl-2H-1,2,4-Triazole-3(4H)-Thione
CAS No.	887867-14-3
Molecular Formula	C12H13FN4S
Molecular Weight	264.32 g/mol
Synonyms	4-[(4-Fluorobenzylidene)amino]-5-isopropyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-[(4-Fluorobenzylidene)amino]-5-(1-methylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-Isopropyl-4-[(4-fluorophenyl)methylideneamino]-2H-1,2,4-triazole-3(4H)-thione; 4-(4-Fluorobenzylideneamino)-5-isopropyl-4H-1,2,4-triazole-3-thiol; CAS 887867-14-3; Fluorinated triazole thione derivative
EINECS	Contact for details

Quality Control

Our production of 4-[(4-Fluorophenyl)Methylideneamino]-5-Propan-2-Yl-2H-1,2,4-Triazole-3(4H)-Thione adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing to ensure identity, purity, and consistency. We provide full traceability and Certificates of Analysis (COA) are available upon request, detailing specifications such as assay (HPLC), related substances, residual solvents, and other critical parameters. Our quality systems are designed to support cGMP compliance for pharmaceutical applications.

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 hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed and under an inert atmosphere (e.g., nitrogen) for long-term storage to prevent degradation. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0% Any single impurity ≤ 0.5%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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