Description

Ethyl 2-Isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is a high-purity synthetic intermediate of significant importance in advanced organic synthesis. This compound serves as a versatile building block for the development of novel heterocyclic compounds, particularly in pharmaceutical research and agrochemical discovery. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and other therapeutic areas.
• Agrochemical Research: Used as a core scaffold for developing new generation pesticides, herbicides, and fungicides with enhanced efficacy.
• Chemical Biology Probe Development: Serves as a starting material for creating isothiocyanate-containing probes used in protein labeling and activity-based profiling.
• Material Science: Potential monomer or additive in the research of advanced polymers and organic electronic materials due to its fused heterocyclic structure.
• Academic & Institutional Research: Employed in universities and research institutes for methodological studies in heterocyclic and organosulfur chemistry.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific synthesis projects requiring this specialized intermediate.

Basic Information

Product Name	Ethyl 2-Isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS No.	85716-87-6
Molecular Formula	C12H13NO2S2
Molecular Weight	267.37 g/mol
Synonyms	Ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; 4,5,6,7-Tetrahydro-1-benzothiophene-3-carboxylic acid, 2-isothiocyanato-, ethyl ester; 2-Isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic Acid Ethyl Ester; Ethyl 2-isothiocyanatotetrahydrobenzothiophene-3-carboxylate; NSC 405124; Tetrahydrobenzothiophene isothiocyanate derivative
EINECS	Contact for details

Quality Control

Every batch of Ethyl 2-Isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is manufactured under strict quality management systems. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency meet the exacting standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment to guarantee traceability and compliance with your internal quality protocols.

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 anhydrous conditions, preferably under an inert atmosphere such as nitrogen or argon, to prevent degradation and maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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