Description

1H-Azepine-1-Carbothioic Acid, Hexahydro-4-Oxo-, S-Ethyl Ester is a specialized heterocyclic building block and thiocarbamate derivative of significant interest in advanced organic synthesis. This compound matters as a key intermediate for constructing complex nitrogen-containing molecular architectures, offering a reactive scaffold for medicinal chemistry and agrochemical research. Pharmaceutical and fine chemical R&D laboratories need it for developing novel active ingredients, particularly in programs targeting enzyme inhibition or receptor modulation.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the synthesis of novel azepine-based drug candidates, particularly for central nervous system (CNS) and metabolic disorder targets.
• Agrochemical Research: Used in the development of new-generation pesticides and herbicides, where the thiocarbamate moiety can impart specific biological activity.
• Chemical Biology Probe Synthesis: Acts as a scaffold for creating molecular probes to study enzyme function and biological pathways in R&D settings.
• Organic Synthesis Building Block: Employed in academic and industrial research for constructing complex heterocycles and testing new synthetic methodologies.
• Material Science Research: Investigated as a monomer or additive for specialty polymers with unique thermal or chemical properties.

Basic Information

Product Name	1H-Azepine-1-Carbothioic Acid, Hexahydro-4-Oxo-, S-Ethyl Ester
CAS No.	70874-92-9
Molecular Formula	C9H15NO2S
Molecular Weight	201.29 g/mol
Synonyms	S-Ethyl Hexahydro-4-oxo-1H-azepine-1-carbothioate; 4-Oxohexamethyleneimine-1-carbothioic Acid S-Ethyl Ester; Hexahydro-4-oxo-1H-azepine-1-carbothioic Acid S-Ethyl Ester; 1-Carbothioic Acid, 1H-azepine-, S-ethyl ester, hexahydro-4-oxo-; Azepine-1-carbothioic acid, hexahydro-4-oxo-, S-ethyl ester; Ethyl (hexahydro-4-oxo-1H-azepin-1-yl)carbodithioate
EINECS	Contact for details

Quality Control

Our 1H-Azepine-1-Carbothioic Acid, Hexahydro-4-Oxo-, S-Ethyl Ester is produced under a strict quality management system to ensure batch-to-batch consistency and high purity for research and development applications. All products undergo rigorous analytical testing, including HPLC, NMR, and GC-MS, to verify identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be amber-colored or stored in light-resistant secondary packaging.

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%
Residue on Ignition	≤ 0.1%

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