Description

6-Thiocaffeine (CAS NO 13182-58-6) is a sulfur-containing analog of caffeine, representing a key heterocyclic building block in medicinal chemistry research. This compound matters for its role as a versatile precursor in the synthesis of novel pharmaceutical agents and biochemical probes. It is primarily needed by research and development teams in the pharmaceutical, agrochemical, and life science sectors for developing new therapeutic candidates and studying enzyme interactions.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel adenosine receptor antagonists and other potential therapeutic agents.
• Biochemical Research: Used as a reference standard or building block in studies exploring enzyme inhibition, particularly within purinergic signaling pathways.
• Medicinal Chemistry: Employed in structure-activity relationship (SAR) studies to develop new chemical entities with modified pharmacological profiles compared to caffeine.
• Agrochemical Development: Investigated as a starting material for creating new compounds with potential pesticidal or herbicidal activity.
• Academic Research: Utilized in universities and research institutes for fundamental studies in heterocyclic chemistry and drug design.

Basic Information

Product Name	6-Thiocaffeine
CAS No.	13182-58-6
Molecular Formula	C8H10N4OS
Molecular Weight	210.26 g/mol
Synonyms	6-Thiotheophylline; 1,3-Dimethyl-2,6-dithioxanthine; 6-Mercaptocaffeine; 2,6-Dithio-1,3-dimethylpurine; 6-Thio-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 1,3-Dimethyl-2-thio-6-thioxo-1,2,3,6-tetrahydropurine; 6-Thio-1,3-dimethylxanthine
EINECS	Contact for details

Quality Control

Our 6-Thiocaffeine is manufactured under a strict quality management system. Each batch undergoes comprehensive analytical testing, including HPLC for purity assessment and spectroscopic methods for identity confirmation, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) documenting batch-specific results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). Keep the container tightly sealed in a dry environment to maintain product integrity.

Specification

Item	Specification
Appearance	Yellow to light brown powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 1.0%
Residue on Ignition	≤ 0.5%

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