Description

Pentamethylbenzenethiol is a high-purity, sulfur-containing aromatic compound with the CAS number 42448-56-6, serving as a versatile and critical building block in advanced organic synthesis. Its unique sterically hindered thiol functionality makes it an essential reagent for creating complex molecular architectures, particularly in materials science and pharmaceutical research. This compound is primarily sought after by R&D chemists and process development scientists in the fine chemical, agrochemical, and specialty polymer industries for applications requiring precise molecular control and stability.

Application

• Pharmaceutical Intermediate: Used in the synthesis of novel drug candidates, particularly those requiring sterically hindered thioether linkages or as a precursor for metal-binding pharmacophores.
• Ligand Synthesis: Acts as a key precursor for creating specialized ligands in catalysis, especially for transition metal complexes used in cross-coupling and hydrogenation reactions.
• Polymer Modification: Employed as a chain-transfer agent or functional monomer to introduce thiol groups into polymers, enhancing properties like adhesion, cross-linking capability, or metal affinity.
• Agrochemical Synthesis: Serves as a building block for developing new active ingredients with improved efficacy and environmental profiles.
• Materials Science Research: Utilized in the development of self-assembled monolayers (SAMs), organic semiconductors, and other advanced materials where surface functionalization is critical.
• Chemical Standard & Analytical Reference: Provided as a high-purity standard for analytical methods development and quality control in related chemical processes.

Basic Information

Product Name	Pentamethylbenzenethiol
CAS No.	42448-56-6
Molecular Formula	C11H16S
Molecular Weight	180.31 g/mol
Synonyms	1,2,3,4,5-Pentamethylbenzenethiol; Pentamethylthiophenol; 2,3,4,5,6-Pentamethylbenzenethiol; Pentamethylphenyl mercaptan; Thiopentamethylbenzene; 1,2,3,4,5-Pentamethyl-6-mercaptobenzene; Hexamethylbenzene thiol (common misnomer); PMBT
EINECS	Contact for details

Quality Control

Our Pentamethylbenzenethiol is manufactured under strict quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is subjected to comprehensive analytical testing, including chromatographic purity assays and identity confirmation via spectroscopic methods. A Certificate of Analysis (COA) detailing specific results for purity, identity, and related substances is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated area at room temperature (15-25°C). Due to its sensitivity to oxidation, minimize headspace in opened containers and handle under an inert gas to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details

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