Description

2-Propanone, 1-Isothiocyanato- (9Ci) is a specialized organic compound featuring a reactive isothiocyanate functional group attached to an acetone backbone. This unique structure makes it a valuable versatile building block for synthesizing heterocyclic compounds and other advanced chemical intermediates. It is primarily utilized by research and development chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of new drug candidates, particularly for molecules containing thiourea or heterocyclic moieties.
• Agrochemical Synthesis: Used in the production of advanced pesticides, herbicides, and fungicides where the isothiocyanate group introduces specific biological activity.
• Chemical Research Reagent: Acts as a versatile electrophile in organic synthesis laboratories for the preparation of thiocarbamates, thioureas, and other sulfur-nitrogen containing compounds.
• Material Science Precursor: Potential use in the synthesis of functional polymers or ligands for metal-organic frameworks (MOFs) due to its reactive handle.
• Bioconjugation Chemistry: Can be employed for modifying biomolecules, such as proteins or peptides, under controlled conditions.

Basic Information

Item	Details
Product Name	2-Propanone, 1-Isothiocyanato- (9Ci)
CAS No.	89914-76-1
Molecular Formula	C4H5NOS
Molecular Weight	115.15 g/mol
Synonyms	1-Isothiocyanato-2-propanone; 1-Isothiocyanatoacetone; Acetone isothiocyanate; 2-Oxopropyl isothiocyanate; Isothiocyanatoacetone; NSC 401119; 1-Isothiocyanatopropan-2-one
EINECS	Contact for details

Quality Control

Our production of 2-Propanone, 1-Isothiocyanato- (9Ci) adheres to stringent internal quality protocols. Each batch undergoes comprehensive analysis to ensure high purity and consistency, critical for reliable research and process development outcomes. A detailed Certificate of Analysis (COA) documenting identity, purity, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); ensure containers are sealed immediately after use to minimize exposure to atmospheric moisture.

Specification

Item	Specification
Appearance	Clear to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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