Description

4(1H)-Pyrimidinethione, 6-Mercapto-2-(Trifluoromethyl)- is a high-purity, sulfur-containing heterocyclic compound featuring a reactive mercapto group and a stable trifluoromethyl substituent. This unique structure makes it a versatile and critical building block for advanced chemical synthesis, particularly in the development of novel active ingredients. It is primarily sought after by pharmaceutical R&D teams and agrochemical manufacturers for creating new molecules with targeted biological activity.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of antiviral, anticancer, and other biologically active drug candidates, leveraging the pyrimidine core.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances stability and bioavailability.
• Material Science Research: Serves as a monomer or functionalizing agent for creating specialty polymers and advanced organic electronic materials.
• Ligand and Catalyst Development: The mercapto group acts as a coordinating site for metal ions, useful in designing novel catalysts and metal-organic frameworks (MOFs).
• Chemical Biology & Proteomics: Employed as a reactive handle for bioconjugation and protein labeling studies due to its thiol reactivity.

Basic Information

Product Name	4(1H)-Pyrimidinethione, 6-Mercapto-2-(Trifluoromethyl)-
CAS No.	672-48-0
Molecular Formula	C5H3F3N2S
Molecular Weight	180.15 g/mol
Synonyms	6-Mercapto-2-(trifluoromethyl)pyrimidin-4(1H)-one; 2-(Trifluoromethyl)-6-mercapto-4-pyrimidinol; 6-Mercapto-2-trifluoromethyl-4(1H)-pyrimidinone; 4-Hydroxy-6-mercapto-2-(trifluoromethyl)pyrimidine; 4(1H)-Pyrimidinone, 6-mercapto-2-(trifluoromethyl)-; 6-Mercapto-2-(trifluoromethyl)-4(1H)-pyrimidinone
EINECS	Contact for details

Quality Control

Our production of 4(1H)-Pyrimidinethione, 6-Mercapto-2-(Trifluoromethyl)- adheres to stringent quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and elemental analysis, to ensure high chemical purity and structural integrity. Certificates of Analysis (COA) detailing all specifications are provided to guarantee traceability and batch-to-batch consistency, meeting the exacting requirements of research and scale-up activities.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for long-term storage to prevent oxidation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
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.