Description

Thioacetic Acid S-(2-Cyano-Benzyl) Ester is a specialized sulfur-containing organic building block with a reactive thioester and a cyano-substituted benzyl group. This unique bifunctional structure makes it a valuable intermediate for synthesizing complex molecules in advanced research and development. It is primarily sought after by pharmaceutical and agrochemical R&D teams for constructing novel heterocyclic compounds and functionalized scaffolds.

Application

• Pharmaceutical Intermediate: A key synthon for the development of active pharmaceutical ingredients (APIs), particularly those containing sulfur heterocycles or cyano-functionalized side chains.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides, leveraging its reactive sites for molecular diversification.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in transition metal catalysis and organocatalysis.
• Material Science Research: Employed in the synthesis of functional monomers or additives for advanced polymers and specialty materials.
• Chemical Biology Probes: Useful for synthesizing activity-based probes or bioconjugation reagents due to its reactive thioester moiety.

Basic Information

Product Name	Thioacetic Acid S-(2-Cyano-Benzyl) Ester
CAS No.	887092-54-8
Molecular Formula	C10H9NOS
Molecular Weight	191.25 g/mol
Synonyms	S-(2-Cyanobenzyl) Thioacetate; 2-[(Acetylthio)methyl]benzonitrile; (2-Cyanobenzyl)thioacetate; Thioacetic Acid S-(2-Cyanobenzyl) Ester; Acetic Acid S-(2-Cyanobenzyl) Thioester; Benzonitrile, 2-[(acetylthio)methyl]-; 887092-54-8
EINECS	Contact for details

Quality Control

Our Thioacetic Acid S-(2-Cyano-Benzyl) Ester is manufactured under strict quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure consistency and reliability for your critical R&D and scale-up processes. A detailed Certificate of Analysis (COA) is provided with each shipment.

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). Keep away from strong oxidizing agents, strong bases, and moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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