Description

Methyl 3-Isothiocyanatothiophene-2-Carboxylate is a versatile heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its dual functional groups—the isothiocyanate and the ester—which enable its use as a key precursor in the construction of complex molecular architectures. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a critical synthon for the development of novel drug candidates, particularly in medicinal chemistry programs targeting various therapeutic areas.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the thiophene and isothiocyanate motifs contribute to biological activity.
• Material Science Research: Acts as a monomer or functionalizing agent in the synthesis of specialty polymers and organic electronic materials.
• Chemical Biology Probes: Utilized to create isothiocyanate-based labeling reagents and affinity probes for studying protein interactions and enzyme activity.
• Ligand Synthesis: Employed in the preparation of novel chelating ligands for catalysis and metal-organic frameworks (MOFs).
• Academic & Industrial R&D: A valuable reagent for method development and exploring new synthetic pathways in heterocyclic chemistry.

Basic Information

Product Name	Methyl 3-Isothiocyanatothiophene-2-Carboxylate
CAS No.	81321-10-0
Molecular Formula	C7H5NO2S2
Molecular Weight	199.25 g/mol
Synonyms	Methyl 3-isothiocyanatothiophene-2-carboxylate; 2-Thiophenecarboxylic acid, 3-isothiocyanato-, methyl ester; Methyl 3-isothiocyanato-2-thiophenecarboxylate; 3-Isothiocyanatothiophene-2-carboxylic acid methyl ester; Methyl 3-isothiocyanylthiophene-2-carboxylate
EINECS	Contact for details

Quality Control

Every batch of Methyl 3-Isothiocyanatothiophene-2-Carboxylate is produced and tested under strict quality management protocols to ensure consistency and reliability for your research and development processes. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as purity, identity, and impurity profiles. Our quality commitment aligns with the standards expected in fine chemical and pharmaceutical intermediate supply.

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 to exclude moisture. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%
Residue on Ignition	≤ 0.1%

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