Description

Acetonitrile, (1H-1,2,4-Triazol-3-Ylthio)- (9Ci) is a specialized organosulfur compound featuring a triazole-thioether functional group attached to an acetonitrile backbone. This unique molecular architecture makes it a valuable chemical intermediate and building block for advanced synthesis in research and industrial chemistry. It is primarily sought by professionals in pharmaceutical development and agrochemical research for constructing complex heterocyclic molecules.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing triazole or thioether motifs for antifungal, antiviral, or other therapeutic applications.
• Agrochemical Synthesis: Used in the development of novel fungicides, herbicides, and plant growth regulators where the triazole-thio group confers specific biological activity.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized ligands in coordination chemistry and catalysis, useful in asymmetric synthesis and material science.
• Organic Synthesis Building Block: Employed in research laboratories for constructing complex heterocyclic compounds, facilitating the exploration of new chemical spaces in medicinal and process chemistry.
• Material Science Research: Investigated as a monomer or functionalizing agent for advanced polymers and functional materials with specific electronic or surface properties.

Basic Information

Product Name	Acetonitrile, (1H-1,2,4-Triazol-3-Ylthio)- (9Ci)
CAS No.	61690-98-0
Molecular Formula	C5H6N4S
Molecular Weight	154.19 g/mol
Synonyms	3-[(Cyanomethyl)thio]-1H-1,2,4-triazole; (1H-1,2,4-Triazol-3-ylthio)acetonitrile; 1H-1,2,4-Triazole-3-thiol, 2-(cyanomethyl)thio deriv.; Acetonitrile, [(1H-1,2,4-triazol-3-yl)thio]-; 3-(Cyanomethylthio)-1,2,4-triazole
EINECS	Contact for details

Quality Control

Our Acetonitrile, (1H-1,2,4-Triazol-3-Ylthio)- (9Ci) is produced under a strict quality management system. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and available upon request to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong oxidizing agents and strong bases. For long-term storage, consider an inert atmosphere to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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