Description

Benzothiazole, 5-Isothiocyanato-4-Methoxy- (9Ci) is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its unique bifunctional structure, incorporating both a benzothiazole core and a reactive isothiocyanate group, enabling the construction of complex molecular architectures. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for developing novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in oncology and CNS (Central Nervous System) research.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, leveraging the benzothiazole moiety's bioactivity.
• Fluorescent Probe & Dye Chemistry: Serves as a precursor for synthesizing specialized fluorescent tags and dyes used in bio-imaging and analytical chemistry.
• Material Science Research: Employed in the creation of organic electronic materials, ligands for catalysis, and polymers with specific optical properties.
• Bioconjugation Agent: The reactive isothiocyanate group allows for covalent attachment to amines in proteins or other biomolecules for labeling and cross-linking studies.

Basic Information

Product Name	Benzothiazole, 5-Isothiocyanato-4-Methoxy- (9Ci)
CAS No.	208458-63-3
Molecular Formula	C9H6N2OS2
Molecular Weight	222.29 g/mol
Synonyms	4-Methoxy-5-isothiocyanatobenzothiazole; 5-Isothiocyanato-4-methoxybenzothiazole; 4-Methoxybenzothiazole-5-isothiocyanate; 2-(4-Methoxyphenyl)-5-isothiocyanatothiazole (possible isomer); Benzothiazole, 5-isothiocyanato-4-methoxy-; 208458-63-3; 5-Isothiocyanato-4-methoxy-1,3-benzothiazole
EINECS	Contact for details

Quality Control

Our Benzothiazole, 5-Isothiocyanato-4-Methoxy- (9Ci) is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the exacting standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

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). This product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed and under an inert atmosphere for long-term storage to maintain stability and purity.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.