Description

5-Isothiocyanato-1H-Pyrimidine-2,4-Dione is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its unique bifunctional reactivity, combining the isothiocyanate group with the uracil core, enabling the creation of novel molecular architectures. It is primarily needed by research and development teams in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and as a precursor for high-value intermediates.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the development of novel nucleoside analogs and potential therapeutic agents targeting viral or oncological pathways.
• Agrochemical Synthesis: Used in the research and production of advanced crop protection agents, leveraging its heterocyclic structure for biological activity.
• Bioconjugation Reagent: The reactive isothiocyanate group allows for covalent coupling to amines in proteins, peptides, or other biomolecules for labeling and probe development.
• Material Science Research: Acts as a monomer or functionalizing agent in the synthesis of specialty polymers with tailored properties.
• Chemical Biology Tool: Employed in the design and synthesis of activity-based probes (ABPs) for studying enzyme function and mechanism.
• Academic & Industrial R&D: A valuable compound for methodological development in organic chemistry and exploring new reaction pathways.

Basic Information

Product Name	5-Isothiocyanato-1H-Pyrimidine-2,4-Dione
CAS No.	7702-88-7
Molecular Formula	C5H3N3O2S
Molecular Weight	169.16 g/mol
Synonyms	5-Isothiocyanatouracil; 5-Isothiocyanato-2,4(1H,3H)-pyrimidinedione; 5-Isothiocyanato-2,4-dihydroxypyrimidine; 5-NCS-Uracil; Uracil-5-isothiocyanate; 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-isothiocyanate; 5-Isothiocyanato-1H-pyrimidine-2,4-dione
EINECS	Contact for details

Quality Control

Our 5-Isothiocyanato-1H-Pyrimidine-2,4-Dione is manufactured under a strict quality management system. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation by IR and NMR spectroscopy, to ensure it meets the high standards required for research and development applications. Certificates of Analysis (COA) documenting all critical parameters are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed to exclude moisture. Keep away from incompatible materials such as strong bases, oxidizing agents, and amines.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 2.0%
Residue on Ignition	≤ 0.5%

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