Description

2,1,3-Benzothiadiazol-5-Yl Isothiocyanate is a versatile heterocyclic building block and key synthetic intermediate. This compound is valued for its reactive isothiocyanate group, which enables efficient conjugation and derivatization in advanced chemical synthesis. It is primarily sought by researchers and manufacturers in the agrochemical, pharmaceutical, and materials science sectors for developing novel active ingredients and functional materials.

Application

• Agrochemical Intermediate: A key precursor in the synthesis of novel fungicides, herbicides, and insecticides that leverage the benzothiadiazole scaffold for bioactivity.
• Pharmaceutical Research: Used as a building block for creating potential drug candidates, particularly in medicinal chemistry programs targeting various disease pathways.
• Functional Material Synthesis: Serves as a monomer or cross-linking agent in the development of organic semiconductors, conductive polymers, and light-emitting materials for OLEDs.
• Fluorescent Probe & Sensor Development: The benzothiadiazole core's photophysical properties make it suitable for constructing fluorescent dyes and chemosensors for biological or environmental detection.
• Polymer Modification: Employed to introduce specific functional groups onto polymer backbones to alter physical, chemical, or electronic properties.
• Cross-coupling Reactions: Acts as a substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille) to construct complex molecular architectures.

Basic Information

Product Name	2,1,3-Benzothiadiazol-5-Yl Isothiocyanate
CAS No.	337508-62-0
Molecular Formula	C7H3N3S2
Molecular Weight	193.25 g/mol
Synonyms	5-Isothiocyanatobenzothiadiazole; 2,1,3-Benzothiadiazole-5-isothiocyanate; Benzo[1,2,5]thiadiazol-5-yl isothiocyanate; 5-Isothiocyanato-2,1,3-benzothiadiazole; 2,1,3-Benzothiadiazole-5-yl mustard oil; BTZ-NCS; BTD-NCS
EINECS	Contact for details

Quality Control

Our 2,1,3-Benzothiadiazol-5-Yl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity verification and spectroscopic methods for structural confirmation, to ensure consistency and reliability for your research and development needs. Certificates of Analysis (COA) detailing batch-specific results are available upon request.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	Yellow to orange 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.