Description

Methyl-2-Isothiocyanatothiophene-3-Carboxylate CAS NO 126637-07-8 is a specialized heterocyclic building block featuring both an isothiocyanate and an ester functional group on a thiophene scaffold. This unique bifunctional structure makes it a high-value intermediate for the synthesis of complex molecules in pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists in the life sciences sector for constructing novel compounds with potential biological activity.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting various disease pathways.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging the bioactive thiophene and isothiocyanate motifs.
• Chemical Biology Probe Synthesis: The reactive isothiocyanate group allows for conjugation to biomolecules, enabling the creation of probes for studying protein function and interactions.
• Material Science Precursor: Serves as a monomer or precursor for functionalized polymers and advanced materials with specific electronic or binding properties.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the global pharmaceutical industry.

Basic Information

Product Name	Methyl-2-Isothiocyanatothiophene-3-Carboxylate
CAS No.	126637-07-8
Molecular Formula	C7H5NO2S2
Molecular Weight	199.25 g/mol
Synonyms	Methyl 2-isothiocyanatothiophene-3-carboxylate; 3-Thiophenecarboxylic acid, 2-isothiocyanato-, methyl ester; Methyl 2-isothiocyanato-3-thiophenecarboxylate; 2-Isothiocyanato-3-thiophenecarboxylic acid methyl ester; Thiophene-3-carboxylic acid, 2-isothiocyanato-, methyl ester; Methyl 2-isothiocyanato-thiophene-3-carboxylate
EINECS	Contact for details

Quality Control

Our Methyl-2-Isothiocyanatothiophene-3-Carboxylate is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) detailing batch-specific results are available upon request to support your regulatory and quality assurance 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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation. Keep away from incompatible materials such as strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%

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