Description

4H-Cyclopenta[B]Thiophene-3-Carboxylicacid,5,6-Dihydro-2-Isothiocyanato-,Methylester(9Ci) is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its unique molecular architecture, combining a cyclopentathiophene core with reactive isothiocyanate and ester functionalities, enabling the construction of complex pharmacophores. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the discovery and development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel small molecule drug candidates, particularly those targeting central nervous system (CNS) disorders or inflammatory pathways.
• Agrochemical Research: Serves as a core scaffold for developing new herbicides, fungicides, or insecticides with novel modes of action.
• Material Science: Potential building block for organic electronic materials, such as novel semiconductors or conductive polymers, due to its fused thiophene structure.
• Chemical Biology Probe Development: The reactive isothiocyanate group allows for selective conjugation with biomolecules, useful in creating probes for target identification or validation.
• Academic & Contract Research: Used in university and CRO laboratories for methodological studies in heterocyclic chemistry and the exploration of new chemical spaces.

Basic Information

Product Name	4H-Cyclopenta[B]Thiophene-3-Carboxylicacid,5,6-Dihydro-2-Isothiocyanato-,Methylester(9Ci)
CAS No.	588676-82-8
Molecular Formula	C10H9NO2S2
Molecular Weight	239.31 g/mol
Synonyms	Methyl 5,6-dihydro-2-isothiocyanato-4H-cyclopenta[b]thiophene-3-carboxylate; 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-isothiocyanato-, methyl ester; 2-Isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester (related structure); Cyclopentathiophene isothiocyanate ester; CAS 588676-82-8
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. Every lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your regulatory and research 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 after opening to prevent degradation. For long-term storage, consider using desiccants or storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
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.