Description

2,4(1H,3H)-Pyrimidinedione,6-Isothiocyanato-(9Ci) is a specialized heterocyclic building block featuring a reactive isothiocyanate group. This compound is of significant value in medicinal chemistry and life science research for its role as a versatile intermediate in the synthesis of novel pharmaceutical candidates and biochemical probes. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and biotechnology sectors for constructing targeted molecular libraries and developing new active ingredients.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel antiviral, anticancer, and anti-inflammatory agents, particularly in nucleoside/nucleotide analog research.
• Bioconjugation Reagent: Used to label proteins, peptides, and antibodies via reaction with amine groups, creating stable thiourea linkages for diagnostic and therapeutic applications.
• Agrochemical Synthesis: Serves as a building block in the research and development of new herbicides, fungicides, and plant growth regulators.
• Chemical Biology Probe Development: Utilized to create activity-based probes (ABPs) for studying enzyme function and target engagement in cellular systems.
• Material Science Research: Investigated as a monomer or cross-linking agent for the synthesis of functional polymers with specific biological activities.
• Academic & Contract Research: Employed in university and CRO laboratories for fundamental organic synthesis projects and method development.

Basic Information

Product Name	2,4(1H,3H)-Pyrimidinedione,6-Isothiocyanato-(9Ci)
CAS No.	301236-45-3
Molecular Formula	C5H3N3O2S
Molecular Weight	169.16 g/mol
Synonyms	6-Isothiocyanatouracil; 6-Isothiocyanato-2,4(1H,3H)-pyrimidinedione; 6-NCS-Uracil; Uracil-6-isothiocyanate; 6-Isothiocyanato-1H-pyrimidine-2,4-dione; 2,4-Dihydroxy-6-isothiocyanatopyrimidine
EINECS	Contact for details

Quality Control

Every batch of 2,4(1H,3H)-Pyrimidinedione,6-Isothiocyanato-(9Ci) is manufactured and tested under a strict quality management system. We provide comprehensive analytical data to ensure the identity, purity, and consistency required for critical research and development applications. A detailed Certificate of Analysis (COA) including HPLC purity, NMR, and mass spectrometry confirmation is supplied with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 15-25°C. This material is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions or a dry inert atmosphere to prevent decomposition. Keep the container tightly sealed in a desiccator for long-term storage.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
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.