Description

5-Isothiocyanato-1,3-Dimethyl-1H-Pyrazole is a versatile heterocyclic building block characterized by its reactive isothiocyanate functional group. This compound is of significant value in synthetic organic chemistry for the construction of complex molecular architectures, particularly in pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists in the life sciences sector for applications such as medicinal chemistry, chemical biology, and material science.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel drug candidates, particularly in the development of kinase inhibitors and other small-molecule therapeutics.
• Agrochemical Research: Used in the design and synthesis of new active ingredients for crop protection products, leveraging its heterocyclic core.
• Chemical Biology Probe: The reactive isothiocyanate group allows for selective conjugation with amines, making it useful for labeling proteins, peptides, and other biomolecules.
• Material Science: Serves as a precursor for functionalized polymers or advanced organic materials with tailored properties.
• Custom Synthesis & Contract Manufacturing: A critical starting material for fine chemical manufacturers offering bespoke synthesis services to the pharmaceutical industry.

Basic Information

Product Name	5-Isothiocyanato-1,3-Dimethyl-1H-Pyrazole
CAS No.	205246-65-7
Molecular Formula	C6H7N3S
Molecular Weight	153.21 g/mol
Synonyms	1,3-Dimethyl-5-isothiocyanato-1H-pyrazole; 1,3-Dimethyl-1H-pyrazole-5-isothiocyanate; 5-Isothiocyanato-1,3-dimethylpyrazole; 1H-Pyrazole-5-isothiocyanate, 1,3-dimethyl-; 1,3-Dimethylpyrazole-5-isothiocyanate
EINECS	Contact for details

Quality Control

Our 5-Isothiocyanato-1,3-Dimethyl-1H-Pyrazole is produced under a strict quality management system. Each batch undergoes rigorous analytical testing, including HPLC for purity and NMR/IR for structural confirmation, to ensure it meets the high standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment.

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 product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed and under an inert atmosphere if necessary to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	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.