Description

Benzothiazole, 4-Isothiocyanato- (9Ci) CAS NO 42517-29-3 is a specialized heterocyclic organic compound featuring a benzothiazole core functionalized with a reactive isothiocyanate group at the 4-position. This unique molecular structure makes it a valuable high-purity chemical intermediate for synthesizing more complex molecules in advanced research and development. It is primarily sought after by pharmaceutical, agrochemical, and material science industries for applications requiring precise chemical modification.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel drug candidates, particularly those targeting specific enzymes or receptors.
• Agrochemical Research: Used in developing new active ingredients for crop protection products, such as fungicides or herbicides.
• Chemical Biology Probe: The reactive isothiocyanate group allows for covalent bonding with biomolecules, making it useful for labeling proteins or studying biological pathways.
• Material Science Precursor: Acts as a monomer or functionalizing agent in the creation of advanced polymers or specialty materials with tailored properties.
• Organic Synthesis Reagent: Employed in academic and industrial laboratories for constructing complex heterocyclic frameworks.

Basic Information

Item	Details
Product Name	Benzothiazole, 4-Isothiocyanato- (9Ci)
CAS No.	42517-29-3
Molecular Formula	C8H4N2S2
Molecular Weight	192.26 g/mol
Synonyms	4-Isothiocyanatobenzothiazole; 4-Isothiocyanato-1,3-benzothiazole; Benzothiazole, 4-isothiocyanato-; 1,3-Benzothiazole, 4-isothiocyanato-; 4-Benzothiazolyl isothiocyanate; NSC 403796; 4-Isothiocyanato-benzo[d]thiazole
EINECS	Contact for details

Quality Control

Our Benzothiazole, 4-Isothiocyanato- is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity verification and spectroscopic identification (IR, NMR), to ensure it meets the high standards required for research and industrial synthesis. A detailed Certificate of Analysis (COA) is provided with every shipment to guarantee traceability and specification compliance.

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 to prevent degradation from atmospheric moisture.

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%

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