Description

1-Cyano-1-Methyl-2(1H)-Isoquinolinecarbothioic Acid S-Ethyl Ester is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its role as a key precursor in the development of novel pharmacologically active molecules, particularly within medicinal chemistry research. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and other therapeutic areas.
• Agrochemical Research: Used in the development of new active ingredients for crop protection products, leveraging its unique heterocyclic scaffold.
• Organic Synthesis Building Block: Employed in academic and industrial research for constructing complex isoquinoline and fused heterocyclic systems.
• Material Science Precursor: Investigated for the synthesis of specialized organic ligands and functional molecules with potential applications in catalysis or optoelectronics.
• Chemical Biology Probe Development: Utilized as a scaffold for creating tool compounds to study biological pathways and protein function.

Basic Information

Product Name	1-Cyano-1-Methyl-2(1H)-Isoquinolinecarbothioic Acid S-Ethyl Ester
CAS No.	17954-39-1
Molecular Formula	C₁₄H₁₂N₂OS
Molecular Weight	256.32 g/mol
Synonyms	S-Ethyl 1-cyano-1-methyl-1,2-dihydroisoquinoline-2-carbothioate; 1-Cyano-1-methyl-1,2-dihydro-2-isoquinolinecarbothioic Acid S-Ethyl Ester; 1-Methyl-1-cyano-1,2-dihydro-2-isoquinolinecarbothioic Acid Ethyl Ester; Ethyl 1-cyano-1-methyl-1,2-dihydro-2-isoquinolinecarbothioate; 1-Cyano-1-methyl-2(1H)-isoquinolinecarbothioic acid, S-ethyl ester; 1-Cyano-1-methyl-1,2-dihydroisoquinoline-2-carbothioic acid S-ethyl ester
EINECS	Contact for details

Quality Control

Our 1-Cyano-1-Methyl-2(1H)-Isoquinolinecarbothioic Acid S-Ethyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via spectroscopic methods (NMR, IR), to ensure it meets the high standards required for research and development applications. Certificates of Analysis (COA) documenting all critical quality attributes are available upon request.

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 strong oxidizing agents and incompatible materials. For long-term storage, consider storing under an inert atmosphere to maintain product integrity.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 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.