Description

Benzothiazole, 6-Isothiocyanato- (9Ci) CAS NO 42517-30-6 is a versatile heterocyclic organic compound featuring a reactive isothiocyanate group attached to the benzothiazole core. This unique structure makes it a valuable chemical intermediate and building block for synthesizing more complex molecules. It is primarily utilized in the development of pharmaceuticals, agrochemicals, and dyes, where its reactive site enables the creation of thiourea derivatives and other functionalized compounds.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of compounds with potential biological activity.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and pesticides, leveraging its reactive isothiocyanate group.
• Dye and Pigment Manufacturing: Serves as a precursor for creating specialized dyes, colorants, and fluorescent markers due to the benzothiazole scaffold.
• Chemical Research & Development: A valuable reagent in organic synthesis for constructing heterocyclic compounds and studying reaction mechanisms.
• Material Science: Potential use in the synthesis of polymers, ligands for metal complexes, or advanced organic materials.
• Bioconjugation Chemistry: The isothiocyanate group can react with amines, making it useful for labeling proteins, peptides, and other biomolecules in biochemical research.

Basic Information

Item	Details
Product Name	Benzothiazole, 6-Isothiocyanato- (9Ci)
CAS No.	42517-30-6
Molecular Formula	C8H4N2S2
Molecular Weight	192.26 g/mol
Synonyms	6-Isothiocyanatobenzothiazole; 2-Isothiocyanatobenzothiazole; Benzothiazole, 2-isothiocyanato-; 2-Benzothiazolyl isothiocyanate; NSC 403079; 6-Isothiocyanato-1,3-benzothiazole; 2-Isothiocyanato-1,3-benzothiazole; Isothiocyanic acid, 2-benzothiazolyl ester
EINECS	Contact for details

Quality Control

Our Benzothiazole, 6-Isothiocyanato- is produced under stringent quality management systems. Each batch undergoes rigorous analytical testing to ensure high purity and consistent performance. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as assay, identity, and impurity profiles. Our quality commitment ensures the material meets the exacting standards required for research and industrial synthesis.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); ensure the container is sealed tightly after each use to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%
Heavy Metals	< 20 ppm
Residue on Ignition	< 0.1%

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