CAS 83776-51-6

α-Methyl-4-(methylthio)benzenemethanethiol

Description:

α-Methyl-4-(methylthio)benzenemethanethiol, with the CAS number 83776-51-6, is an organic compound characterized by its thiol functional group, which contains a sulfur atom bonded to a hydrogen atom. This compound features a benzene ring substituted with a methyl group and a methylthio group, contributing to its unique chemical properties. The presence of the thiol group imparts notable reactivity, particularly in nucleophilic substitution reactions and the formation of disulfides. Additionally, the methylthio group enhances the compound's hydrophobic characteristics, influencing its solubility in organic solvents. α-Methyl-4-(methylthio)benzenemethanethiol may exhibit distinct odor properties, often associated with sulfur-containing compounds, which can be significant in various applications, including fragrance and flavor industries. Its structural features suggest potential uses in organic synthesis and as a building block for more complex molecules. However, safety and handling precautions are essential due to the potential toxicity and reactivity of thiol compounds.

Formula: C₉H₁₂S₂

InChI: InChI=1S/C9H12S2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3

InChI key: InChIKey=BBBAWQXWJZXORT-UHFFFAOYSA-N

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

Synonyms:

• 1-[4-(Methylsulfanyl)phenyl]ethane-1-thiol
• Benzenemethanethiol, α-methyl-4-(methylthio)-
• α-Methyl-4-(methylthio)benzenemethanethiol