Description

3-Hydroxybenzenethiol (CAS No. 40248-84-8), also known as 3-Mercaptophenol or 3-Hydroxythiophenol, is a high-purity aromatic thiol compound with the molecular formula C₆H₆OS. This versatile reagent features both a hydroxyl (–OH) and a sulfhydryl (–SH) functional group on a benzene ring, making it a valuable intermediate in organic synthesis, pharmaceuticals, and materials science. Its IUPAC name is 3-sulfanylphenol.

Our 3-Hydroxybenzenethiol is rigorously tested for purity and stability, ensuring optimal performance in demanding applications. It is supplied in sealed containers under inert conditions to prevent oxidation and degradation. Ideal for researchers and industrial scientists, this compound is a key building block for the synthesis of heterocyclic compounds, ligands, and functionalized polymers.

Applications include use as a precursor in medicinal chemistry, agrochemicals, and as a modifier in polymer chemistry. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 40248-84-8
• Complexity: 74.9
• IUPAC Name: 3-sulfanylphenol
• InChI: InChI=1S/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
• InChI Key: DOFIAZGYBIBEGI-UHFFFAOYSA-N
• Exact Mass: 126.01393598
• Molecular Formula: C6H6OS
• Molecular Weight: 126.18
• SMILES: C1=CC(=CC(=C1)S)O
• Topological: 21.2
• Monoisotopic Mass: 126.01393598
• Synonyms: 3-Hydroxybenzenethiol, 609-803-6, 3-Hydroxythiophenol, 40248-84-8, 3-Mercaptophenol, 3-sulfanylphenol, 3-Hydroxy thiophenol, 3-mercapto phenol, Phenol, 3-mercapto-, m-Hydroxy Thiophenol, Thioresorcin, 3-HYDROXYTHIOPHENOL (3-MERCAPTOPHENOL), MFCD01317829, 3-hydroxy-benzenethiol, 3-Mercaptophenol, 96%, SCHEMBL21502, SCHEMBL6285452, SCHEMBL27262886, DOFIAZGYBIBEGI-UHFFFAOYSA-, DTXSID90371478, QBA24884, AKOS007930181, CS-W011156, PS-3198, AC-10003, DB-049554, H1196, EN300-134541, InChI=1/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

Application

3-Hydroxybenzenethiol is widely used as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. It serves as a key building block for the synthesis of heterocyclic compounds and ligands due to its reactive thiol and hydroxyl groups. In polymer chemistry, it is employed as a modifier to introduce functional groups or cross-linking sites. Additionally, it finds use in the development of metal-chelating agents and as a precursor for specialty chemicals.

Safety and Hazards

GHS Hazard Statements

• H317 (93%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (95.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Sens. 1 (93%)
• Eye Dam. 1 (95.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.