CAS 1039320-19-8

α-Methyl-2-(trifluoromethyl)benzenemethanethiol

Description:

α-Methyl-2-(trifluoromethyl)benzenemethanethiol, identified by its CAS number 1039320-19-8, is an organosulfur compound characterized by the presence of a thiol (-SH) functional group attached to a benzene ring that also features a methyl group and a trifluoromethyl group. This compound exhibits properties typical of thiols, including a strong, often unpleasant odor, and is known for its reactivity due to the sulfur atom, which can participate in various chemical reactions such as nucleophilic substitutions and oxidation. The trifluoromethyl group enhances the compound's lipophilicity and can influence its electronic properties, making it a subject of interest in medicinal chemistry and materials science. Additionally, the presence of the methyl group can affect steric hindrance and the overall molecular conformation. As with many organofluorine compounds, α-Methyl-2-(trifluoromethyl)benzenemethanethiol may exhibit unique interactions with biological systems, warranting further investigation into its potential applications and environmental impact.

Formula: C₉H₉F₃S

InChI: InChI=1S/C9H9F3S/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3

InChI key: InChIKey=CWZONIITBLYJNE-UHFFFAOYSA-N

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

Synonyms:

• α-Methyl-2-(trifluoromethyl)benzenemethanethiol
• Benzenemethanethiol, α-methyl-2-(trifluoromethyl)-