Description

3-(2-Mercapto-4,4,6-Trimethyl-1(4H)-Pyrimidinyl)Benzenesulfonic Acid is a specialized organosulfur compound featuring a unique pyrimidinyl-mercaptan structure linked to a benzenesulfonic acid group. This molecular architecture makes it a valuable intermediate and functional additive, particularly in applications requiring sulfur-based reactivity or sulfonate functionality. It is primarily utilized by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors. The compound's properties are leveraged in synthesis, catalysis, and as a building block for more complex molecules.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing heterocyclic and sulfonated motifs.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and plant growth regulators where its sulfur and pyrimidine components are bioactive.
• Chemical Research & Development: Acts as a versatile reagent in organic synthesis for constructing complex sulfur-containing heterocycles and for studying mercaptan chemistry.
• Catalyst & Ligand Precursor: Potential use in the development of metal-chelating ligands or catalysts due to the presence of mercapto and sulfonic acid groups.
• Polymer Modification: Can be employed to introduce sulfonic acid groups or chain-transfer agents into polymers to alter solubility, reactivity, or physical properties.
• Analytical Chemistry: May be used as a derivatization agent or a standard in chromatographic analysis for sulfur-containing compounds.

Basic Information

Product Name	3-(2-Mercapto-4,4,6-Trimethyl-1(4H)-Pyrimidinyl)Benzenesulfonic Acid
CAS No.	5423-40-5
Molecular Formula	C13H16N2O3S2
Molecular Weight	312.41 g/mol
Synonyms	3-(2-Mercapto-4,4,6-trimethyl-1,4-dihydropyrimidin-1-yl)benzenesulfonic acid; 3-(2-Mercapto-4,4,6-trimethyl-1,4-dihydro-1-pyrimidinyl)benzenesulfonic acid; 1,4-Dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-2(1H)-pyrimidinethione; Benzenesulfonic acid, 3-(1,4-dihydro-4,4,6-trimethyl-2-mercapto-1-pyrimidinyl)-; 5423-40-5; 3-(2-Thiol-4,4,6-trimethyl-1,4-dihydropyrimidin-1-yl)benzenesulfonic acid
EINECS	Contact for details

Quality Control

Our 3-(2-Mercapto-4,4,6-Trimethyl-1(4H)-Pyrimidinyl)Benzenesulfonic Acid is produced under a strict quality management system. Each batch undergoes rigorous analytical testing to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as assay, impurity profile, and physical characteristics. Our quality commitment ensures the material is suitable for demanding applications in research and regulated synthesis.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and easily oxidized; therefore, containers should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use to prevent degradation. Keep away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Loss on Drying	≤ 2.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm

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