Description

3-Thiophenecarboxylicacid,2-Isothiocyanato-5-Methyl-,Methylester(9Ci) CAS NO 588675-85-8 is a specialized heterocyclic building block featuring both an isothiocyanate and a methyl ester functional group on a thiophene core. This compound is valued for its dual reactivity, enabling its use as a versatile synthon in the development of novel chemical entities. It is primarily sought by research and development chemists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry, material science, and as a precursor for advanced intermediates.

Application

• Pharmaceutical Intermediate: Serves as a key building block for the synthesis of novel drug candidates, particularly in the development of small molecule therapeutics targeting various disease pathways.
• Agrochemical Research: Used in the discovery and development of new active ingredients for crop protection products, leveraging its unique heterocyclic structure.
• Material Science: Acts as a precursor for functionalized polymers or organic electronic materials due to the conductive properties of the thiophene ring.
• Chemical Biology Probes: The reactive isothiocyanate group allows for conjugation with biomolecules, making it useful for creating probes and labeled compounds.
• Ligand Synthesis: Employed in the preparation of specialized ligands for catalysis or metal-organic frameworks (MOFs).
• Academic & Industrial R&D: A valuable reagent for exploratory synthetic chemistry and methodology development in research laboratories.

Basic Information

Product Name	3-Thiophenecarboxylicacid,2-Isothiocyanato-5-Methyl-,Methylester(9Ci)
CAS No.	588675-85-8
Molecular Formula	C8H7NO2S2
Molecular Weight	213.28 g/mol
Synonyms	Methyl 2-isothiocyanato-5-methylthiophene-3-carboxylate; 2-Isothiocyanato-5-methyl-3-thiophenecarboxylic acid methyl ester; 5-Methyl-2-isothiocyanatothiophene-3-carboxylic acid methyl ester; Thiophene-3-carboxylic acid, 2-isothiocyanato-5-methyl-, methyl ester (9CI); Methyl 5-methyl-2-isothiocyanatothiophene-3-carboxylate
EINECS	Contact for details

Quality Control

Our production of 3-Thiophenecarboxylicacid,2-Isothiocyanato-5-Methyl-,Methylester(9Ci) adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. All materials are characterized using advanced analytical techniques including NMR, HPLC, and MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area. For long-term storage, we recommend maintaining the product at temperatures between 2°C and 8°C. The compound may be sensitive to moisture and should be handled under inert atmosphere for critical applications.

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.