Description

1-Isothiocyanato-6-(Methylsulfonyl)-Hexane is a specialized bifunctional organic compound featuring both an isothiocyanate and a methylsulfonyl group, separated by a hexyl chain. This unique structure makes it a valuable building block in organic synthesis, particularly for the development of novel chemical entities in pharmaceutical and agrochemical research. It is primarily utilized by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and life sciences industries for creating targeted molecules with specific biological or material properties.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of potential drug candidates, particularly those targeting enzymes or receptors where the isothiocyanate moiety can act as an electrophile.
• Bioconjugation Reagent: Used in chemical biology for labeling proteins, peptides, or other biomolecules via reaction with amine groups, facilitated by the reactive isothiocyanate functional group.
• Agrochemical Synthesis: Serves as an intermediate in the research and development of new herbicides, fungicides, or plant growth regulators.
• Material Science Research: Employed in the creation of functionalized polymers or advanced materials where the sulfone and isothiocyanate groups can impart specific chemical or physical properties.
• Cross-linking Agent: Can be used to create covalent cross-links in polymeric systems or between molecules in diagnostic assay development.
• Chemical Probe Development: Useful for synthesizing activity-based probes (ABPs) used in proteomics and enzyme activity studies.

Basic Information

Product Name	1-Isothiocyanato-6-(Methylsulfonyl)-Hexane
CAS No.	167963-03-3
Molecular Formula	C8H15NO2S2
Molecular Weight	221.34 g/mol
Synonyms	6-Isothiocyanato-1-(methylsulfonyl)hexane; 6-(Methylsulfonyl)hexyl isothiocyanate; Hexane, 1-isothiocyanato-6-(methylsulfonyl)-; 1-(Methylsulfonyl)-6-isothiocyanatohexane; NSC 339063; 6-Isothiocyanatohexyl methyl sulfone
EINECS	Contact for details

Quality Control

Our 1-Isothiocyanato-6-(Methylsulfonyl)-Hexane is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with key parameters including assay (HPLC), identity confirmation (IR, NMR), and impurity profile. Our quality commitment supports compliance with cGMP and ISO standards for research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (typically 15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for prolonged stability. Keep away from strong bases and reducing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
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.