Description

Methyl 3-Isothiocyanato-4-Methylthiophene-2-Carboxylate is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its unique molecular architecture, incorporating both a reactive isothiocyanate group and a thiophene carboxylate ester, making it a versatile precursor for constructing complex pharmacophores and functional materials. It is primarily needed by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for the development of novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting heterocyclic scaffolds.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the thiophene and isothiocyanate functionalities can contribute to biological activity.
• Material Science Precursor: Serves as a building block for organic semiconductors, conductive polymers, or liquid crystals due to the electron-rich thiophene core.
• Chemical Biology Probe Synthesis: The reactive isothiocyanate group allows for conjugation with amines in biomolecules, useful for creating labeled probes or affinity tags.
• Custom Synthesis & Contract Manufacturing: Employed by CDMOs (Contract Development and Manufacturing Organizations) for the production of client-specific advanced intermediates.
• Academic & Industrial R&D: Fundamental research tool for exploring new chemical reactions and synthesizing libraries of novel heterocyclic compounds.

Basic Information

Product Name	Methyl 3-Isothiocyanato-4-Methylthiophene-2-Carboxylate
CAS No.	81321-15-5
Molecular Formula	C8H7NO2S2
Molecular Weight	213.27 g/mol
Synonyms	Methyl 4-methyl-3-isothiocyanatothiophene-2-carboxylate; 3-Isothiocyanato-4-methylthiophene-2-carboxylic acid methyl ester; 4-Methyl-3-isothiocyanatothiophene-2-carboxylic acid methyl ester; Methyl 4-methyl-3-isothiocyanato-2-thiophenecarboxylate; 2-Thiophenecarboxylic acid, 3-isothiocyanato-4-methyl-, methyl ester; Methyl 3-isothiocyanato-4-methyl-2-thiophenecarboxylate
EINECS	Contact for details

Quality Control

Our Methyl 3-Isothiocyanato-4-Methylthiophene-2-Carboxylate is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity for research and development applications. Each lot is characterized by modern analytical techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment 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 a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Purity (HPLC)	≥ 97.0%
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.