Description

3-Thiophenecarboxylicacid,2-Isothiocyanato-4,5-Dimethyl-,Methylester(9Ci) is a specialized heterocyclic building block featuring both an isothiocyanate and an ester functional group on a dimethyl-substituted thiophene core. This unique bifunctional structure makes it a valuable intermediate for synthesizing complex molecules in advanced research and development. It is primarily sought after by pharmaceutical and agrochemical R&D teams for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly for creating thiophene-based heterocycles with potential biological activity.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the isothiocyanate moiety can be leveraged for further derivatization.
• Material Science: Acts as a building block for advanced organic materials, such as organic semiconductors or ligands for metal-organic frameworks (MOFs).
• Chemical Biology Probe Synthesis: The reactive isothiocyanate group is ideal for labeling or conjugating with biomolecules like proteins or peptides for research applications.
• Custom Synthesis & Contract Manufacturing: A critical starting material for fine chemical manufacturers offering bespoke synthesis services to clients in life sciences.

Basic Information

Product Name	3-Thiophenecarboxylicacid,2-Isothiocyanato-4,5-Dimethyl-,Methylester(9Ci)
CAS No.	588676-61-3
Molecular Formula	C9H9NO2S2
Molecular Weight	227.30 g/mol
Synonyms	Methyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate; 2-Isothiocyanato-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester; Methyl 4,5-dimethyl-2-isothiocyanatothiophene-3-carboxylate; 3-Thiophenecarboxylic acid, 2-isothiocyanato-4,5-dimethyl-, methyl ester; 588676-61-3; SCHEMBL21842227; DTXSID60672960
EINECS	Contact for details

Quality Control

Every batch of 3-Thiophenecarboxylicacid,2-Isothiocyanato-4,5-Dimethyl-,Methylester(9Ci) is produced and tested under strict quality management protocols to ensure consistency and purity for research and development applications. Our products undergo rigorous quality testing to ensure compliance with industry standards. Certificates of Analysis (COA) with detailed specifications are available upon request.

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 light-sensitive nature of the compound, the container should be amber glass or otherwise opaque.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%
Residue on Ignition	≤ 0.5%

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