Description

Propargyl Isothiocyanate is a versatile and reactive organosulfur compound characterized by its isothiocyanate functional group attached to a propargyl moiety. This unique structure makes it a valuable building block in organic synthesis, particularly for the development of heterocyclic compounds and functional materials. It is primarily utilized by research institutions and industrial R&D departments in the pharmaceutical, agrochemical, and specialty chemical sectors.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, especially those targeting specific enzyme inhibition.
• Agrochemical Synthesis: Used in the research and development of new pesticides, herbicides, and fungicides due to its bioactive potential.
• Chemical Biology Probe: Acts as a reactive handle in click chemistry and bioconjugation strategies for labeling biomolecules.
• Heterocyclic Chemistry: A crucial starting material for constructing nitrogen and sulfur-containing heterocycles like thiazoles and thiadiazoles.
• Polymer Modification: Employed to introduce functional isothiocyanate groups into polymer chains for advanced material properties.
• Cross-coupling Reactions: Utilized in palladium-catalyzed reactions (e.g., Sonogashira coupling) to create complex molecular architectures.

Basic Information

Product Name	Propargyl Isothiocyanate
CAS No.	54122-88-2
Molecular Formula	C4H3NS
Molecular Weight	97.14 g/mol
Synonyms	3-Isothiocyanato-1-propyne; 1-Propyne, 3-isothiocyanato-; Propargyl mustard oil; 3-Isothiocyanatopropyne; Isothiocyanic acid propargyl ester; NSC 163045; Propargyl isorhodanide; 2-Propynyl isothiocyanate
EINECS	Contact for details

Quality Control

Our Propargyl Isothiocyanate is produced under stringent quality management protocols. Each batch undergoes comprehensive analytical testing to ensure high purity and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, documenting key parameters such as assay, identity, and impurity profiles. Our quality systems are designed to meet the exacting standards required for research and development applications.

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 highly volatile nature, ensure containers are securely sealed when not in use. Keep away from strong bases and incompatible materials such as amines and oxidizing agents.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 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.