Description

Benzothiazole, 2-Isothiocyanato- (9Ci) CAS NO 39905-91-4 is a specialized heterocyclic organic compound featuring a reactive isothiocyanate group fused to a benzothiazole core. This unique molecular architecture makes it a versatile and high-value chemical intermediate for synthesizing complex molecules. It is primarily sought after by pharmaceutical, agrochemical, and advanced materials research sectors for developing novel active ingredients and functional compounds.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry research targeting various therapeutic areas.
• Agrochemical Synthesis: Used in the development of new-generation fungicides, herbicides, and plant growth regulators.
• Dye and Pigment Manufacturing: Serves as a precursor for specialty dyes, optical brighteners, and functional pigments.
• Polymer Modification: Acts as a reactive monomer or cross-linking agent to introduce benzothiazole units into polymer chains, enhancing material properties.
• Chemical Research & Development: A valuable reagent in organic synthesis for constructing complex heterocyclic systems and for studying reaction mechanisms.
• Ligand and Chelating Agent Precursor: Used to synthesize specialized ligands for metal coordination chemistry and catalysis.

Basic Information

Product Name	Benzothiazole, 2-Isothiocyanato- (9Ci)
CAS No.	39905-91-4
Molecular Formula	C8H4N2S2
Molecular Weight	192.26 g/mol
Synonyms	2-Isothiocyanatobenzothiazole; Benzothiazole-2-isothiocyanate; 2-Benzothiazolyl isothiocyanate; 2-Isothiocyanato-1,3-benzothiazole; 2-Benzothiazolyl mustard oil; NSC 403119; 2-Isothiocyanatobenzo[d]thiazole
EINECS	Contact for details

Quality Control

Our Benzothiazole, 2-Isothiocyanato- is produced under stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity, IR and NMR for structural confirmation, and tests for residual solvents and moisture. We provide full traceability and Certificates of Analysis (COA) are available upon request to ensure compliance with your specific R&D or production requirements.

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 in a dry environment to prevent degradation. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	Light yellow to yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

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