Description

Methyl 6-Isothiocyanatohexanoate is a versatile bifunctional organic compound that serves as a critical building block in advanced chemical synthesis. Its unique structure, featuring both an isothiocyanate group and an ester moiety, enables its use as a key reagent for introducing functional handles and cross-linking capabilities. This compound is particularly valuable for researchers and manufacturers in the pharmaceutical and life sciences sectors, where it is employed in the development of novel therapeutic agents, bioconjugation strategies, and advanced material science applications.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for compounds requiring specific thiourea or isothiocyanate-linked functionalities.
• Bioconjugation Reagent: Used to covalently link biomolecules (like proteins, peptides, or antibodies) to other molecules, drugs, or surfaces via its reactive isothiocyanate group, which readily reacts with primary amines.
• Cross-linking Agent: Employed in polymer chemistry and material science to create cross-linked networks, modifying the physical properties of resins, coatings, and hydrogels.
• Chemical Probe Synthesis: Utilized in medicinal chemistry and chemical biology to create probes for studying enzyme activity, protein function, or cellular pathways.
• Agrochemical Research: Serves as an intermediate in the development of novel pesticides or plant growth regulators that incorporate thiocarbamate or related structures.
• Peptide Modification: Enables the site-specific modification of peptides to enhance stability, alter bioavailability, or attach labels for detection and imaging.

Basic Information

Product Name	Methyl 6-Isothiocyanatohexanoate
CAS No.	16424-87-6
Molecular Formula	C9H15NO2S
Molecular Weight	201.29 g/mol
Synonyms	6-Isothiocyanatohexanoic Acid Methyl Ester; Methyl 6-Isothiocyanatocaproate; Hexanoic Acid, 6-Isothiocyanato-, Methyl Ester; Methyl 6-Isocyanatohexanoate (common misnomer); 6-(Isothiocyanato)hexanoic Acid Methyl Ester; NSC 334906; Methyl ω-Isothiocyanatohexanoate
EINECS	Contact for details

Quality Control

Our Methyl 6-Isothiocyanatohexanoate is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity suitable for research and commercial synthesis. Each lot undergoes comprehensive analytical testing, including HPLC for purity assessment and NMR for structural confirmation. Certificates of Analysis (COA) detailing all test results are available upon request to support your quality assurance and regulatory documentation needs.

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). Keep away from heat, sparks, and open flame. Due to the reactivity of the isothiocyanate group, minimize exposure to moisture and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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