Description

4-Isothiocyanato-1-Methyl-1H-Pyrazole is a versatile heterocyclic building block characterized by its reactive isothiocyanate functional group. This compound is of significant value in synthetic organic and medicinal chemistry for constructing complex molecular architectures. It is primarily sought after by research institutions and pharmaceutical companies engaged in the development of novel active pharmaceutical ingredients (APIs), agrochemicals, and advanced materials.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of potential drug candidates, particularly in areas like kinase inhibitors and other targeted therapies.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging its heterocyclic core for bioactivity.
• Chemical Biology & Proteomics: The isothiocyanate group can react with amines, making it useful for bioconjugation, labeling proteins, or creating activity-based probes.
• Material Science: Serves as a monomer or cross-linking agent in the synthesis of specialized polymers and functional materials.
• Organic Synthesis Building Block: Employed in cycloaddition reactions and heterocycle annulation to create more complex nitrogen-containing compounds.

Basic Information

Product Name	4-Isothiocyanato-1-Methyl-1H-Pyrazole
CAS No.	1001500-53-3
Molecular Formula	C5H5N3S
Molecular Weight	139.18 g/mol
Synonyms	1-Methyl-4-isothiocyanato-1H-pyrazole; 1-Methyl-1H-pyrazole-4-isothiocyanate; 4-Isothiocyanato-1-methylpyrazole; 1-Methyl-4-pyrazole isothiocyanate; 4-NCS-1-Methylpyrazole; Pyrazole-4-isothiocyanate, 1-methyl-; 1-Methyl-1H-4-pyrazolyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 4-Isothiocyanato-1-Methyl-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and FTIR, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with every shipment, detailing all critical quality attributes. Our commitment to cGMP principles and regulatory compliance ensures a reliable supply for research and development 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 product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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