Description

5-Pyrimidinethiol, 4-Fluoro-, 1-Oxide (9Ci) is a specialized heterocyclic building block featuring a unique combination of a thiol group, a fluorine substituent, and an N-oxide moiety. This compound is of significant value in advanced organic synthesis, particularly for medicinal chemistry research and the development of novel active pharmaceutical ingredients (APIs). It is primarily sought after by research institutions and pharmaceutical companies engaged in the discovery of new therapeutic agents, agrochemicals, and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of fluorinated pyrimidine-based drug candidates, potentially for antiviral, anticancer, or anti-inflammatory applications.
• Medicinal Chemistry Research: Used as a versatile scaffold for structure-activity relationship (SAR) studies, leveraging the reactivity of the thiol and the electronic effects of the fluorine and N-oxide groups.
• Agrochemical Development: Employed in the research and synthesis of novel herbicides, fungicides, or insecticides where the fluorinated pyrimidine core can enhance biological activity and stability.
• Ligand Synthesis: The thiol and heterocyclic nitrogen atoms make it a potential candidate for synthesizing chelating ligands in coordination chemistry and catalysis.
• Material Science Research: Investigated as a building block for creating novel organic electronic materials or functional polymers with specific optoelectronic properties.

Basic Information

Product Name	5-Pyrimidinethiol, 4-Fluoro-, 1-Oxide (9Ci)
CAS No.	402726-44-7
Molecular Formula	C4H3FN2OS
Molecular Weight	146.14 g/mol
Synonyms	4-Fluoro-1-oxido-5-pyrimidinethiol; 4-Fluoro-5-pyrimidinethiol 1-oxide; 4-Fluoro-5-mercaptopyrimidine 1-oxide; 5-Mercapto-4-fluoropyrimidine N-oxide; 4-Fluoro-1H-pyrimidine-5-thione 1-oxide; 402726-44-7 (CAS Registry Number)
EINECS	Contact for details

Quality Control

Our 5-Pyrimidinethiol, 4-Fluoro-, 1-Oxide (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your research and quality assurance requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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