Description

1-Methyl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile is a specialized heterocyclic organic compound featuring a fused isoquinoline core with nitrile and thioxo functional groups, serving as a critical synthetic intermediate. Its unique molecular architecture makes it a valuable building block for constructing complex pharmacophores and advanced materials. This high-purity intermediate is primarily sought by research institutions and manufacturers in the pharmaceutical and agrochemical sectors for the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, particularly those targeting neurological or oncological pathways.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides due to its bioactive scaffold.
• Organic Synthesis Building Block: Employed in academic and industrial R&D for constructing complex nitrogen- and sulfur-containing heterocycles.
• Material Science: Potential monomer or precursor for specialty polymers and advanced organic electronic materials.
• Chemical Biology Probe: Serves as a scaffold for developing molecular probes to study enzyme function or biological pathways.

Basic Information

Product Name	1-Methyl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile
CAS No.	95546-96-6
Molecular Formula	C₁₁H₁₂N₂S
Molecular Weight	204.29 g/mol
Synonyms	4-Cyano-1-methyl-2,3,5,6,7,8-hexahydroisoquinoline-3-thione; 1-Methyl-3-thioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile; 1-Methyl-3-thioxo-1,2,3,5,6,7-hexahydro-4-isoquinolinecarbonitrile; 1-Methyl-3-thioxo-1,2,3,5,6,7,8,8a-octahydro-4-isoquinolinecarbonitrile; 3-Thioxo-1-methyl-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile
EINECS	Contact for details

Quality Control

Our production of 1-Methyl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is analyzed using advanced chromatographic and spectroscopic techniques. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

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