Description

Methyl 2-Isothiocyanatoacetate is a versatile bifunctional organic building block that combines an isothiocyanate group with an ester functionality. This unique structure makes it a critical intermediate for synthesizing heterocyclic compounds and functionalized molecules. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries for developing active ingredients and novel materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of thiazole, thiadiazole, and other nitrogen-sulfur heterocycles with potential biological activity.
• Agrochemical Synthesis: Used in the production of herbicides, fungicides, and insecticides, leveraging the reactive isothiocyanate moiety.
• Peptide Modification & Bioconjugation: The isothiocyanate group reacts selectively with amine groups, making it useful for labeling proteins or modifying peptides.
• Polymer Chemistry: Serves as a monomer or cross-linking agent for creating polymers with specific functional groups.
• Chemical Research & Development: A valuable reagent for medicinal chemistry and material science research to explore new compound libraries.
• Dye and Pigment Intermediate: Employed in the synthesis of specialized colorants and functional dyes.

Basic Information

Product Name	Methyl 2-Isothiocyanatoacetate
CAS No.	21055-37-8
Molecular Formula	C4H5NO2S
Molecular Weight	131.15 g/mol
Synonyms	Methyl Isothiocyanatoacetate; Acetic acid, 2-isothiocyanato-, methyl ester; Methyl (isothiocyanato)acetate; 2-Isothiocyanatoacetic acid methyl ester; Isothiocyanatoacetic acid methyl ester; NSC 401119; Methyl thiocyanatoacetate (related); Methyl ester of 2-isothiocyanatoacetic acid
EINECS	Contact for details

Quality Control

Our Methyl 2-Isothiocyanatoacetate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chromatography (HPLC/GC) and spectroscopic methods (IR, NMR), to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance protocols.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation by atmospheric moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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