CAS 90953-57-4

3-Methoxy-4-methylbenzenethiol

Description:

3-Methoxy-4-methylbenzenethiol, also known as a substituted thiophenol, is an organic compound characterized by the presence of a thiol (-SH) group attached to a benzene ring that also bears a methoxy (-OCH₃) and a methyl (-CH₃) substituent. This compound typically appears as a colorless to pale yellow liquid with a distinct odor. Its molecular structure contributes to its properties, including moderate solubility in organic solvents and limited solubility in water due to the hydrophobic nature of the aromatic ring and the thiol group. The presence of the methoxy group enhances its electron-donating ability, which can influence its reactivity in various chemical reactions, such as nucleophilic substitutions or electrophilic aromatic substitutions. Additionally, 3-Methoxy-4-methylbenzenethiol may exhibit antioxidant properties and can be used in the synthesis of other chemical compounds or as an intermediate in organic synthesis. Safety precautions should be taken when handling this compound, as thiols can be malodorous and may pose health risks if inhaled or ingested.

Formula: C₈H₁₀OS

InChI: InChI=1S/C8H10OS/c1-6-3-4-7(10)5-8(6)9-2/h3-5,10H,1-2H3

InChI key: InChIKey=LTKKWYIAUXMKRY-UHFFFAOYSA-N

SMILES: O(C)C1=C(C)C=CC(S)=C1

Synonyms:

• 2-Methoxy-4-mercapto-toluene
• p-Toluenethiol, 3-methoxy-
• 3-Methoxy-4-methylbenzenethiol
• Benzenethiol, 3-methoxy-4-methyl-