Description

5-Methyl-3-(Methylsulfonyl)-4-Isothiazolecarbonitrile is a high-purity, multi-functional heterocyclic building block of significant interest in advanced organic synthesis. Its unique molecular architecture, featuring both a sulfonyl and a nitrile group on the isothiazole core, makes it a versatile precursor for constructing complex pharmacophores and agrochemical intermediates. This compound is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel drug candidates, particularly in the development of anti-infective, anti-inflammatory, and central nervous system (CNS) active compounds.
• Agrochemical Synthesis: Serves as a crucial building block for creating new-generation herbicides, fungicides, and insecticides with improved efficacy and environmental profiles.
• Material Science Research: Used in the development of specialty polymers, dyes, and functional materials where the isothiazole ring system imparts specific electronic or stability properties.
• Chemical Biology & Proteomics: Can be utilized as a reactive handle or linker in the design of chemical probes for studying biological systems and protein interactions.
• Custom Synthesis & Contract Manufacturing: An essential starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the life sciences sector.

Basic Information

Product Name	5-Methyl-3-(Methylsulfonyl)-4-Isothiazolecarbonitrile
CAS No.	82000-51-9
Molecular Formula	C6H6N2O2S2
Molecular Weight	202.26 g/mol
Synonyms	3-Methylsulfonyl-5-methyl-4-isothiazolecarbonitrile; 4-Cyano-5-methyl-3-methylsulfonylisothiazole; 5-Methyl-3-methylsulfonylisothiazole-4-carbonitrile; 4-Isothiazolecarbonitrile, 5-methyl-3-(methylsulfonyl)-; 3-(Methylsulfonyl)-5-methyl-4-isothiazolecarbonitrile
EINECS	Contact for details

Quality Control

Our 5-Methyl-3-(Methylsulfonyl)-4-Isothiazolecarbonitrile is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and residual solvent analysis, to ensure it meets the stringent requirements of research and process development. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of ignition.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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