CAS 1208075-42-6

2-Methyl-3-(trifluoromethyl)benzenethiol

Description:

2-Methyl-3-(trifluoromethyl)benzenethiol, with the CAS number 1208075-42-6, is an organosulfur compound characterized by the presence of a thiol (-SH) functional group attached to a benzene ring that also features both a methyl group and a trifluoromethyl group. This compound exhibits a unique combination of hydrophobic and hydrophilic properties due to the presence of the thiol group, which can engage in hydrogen bonding and participate in redox reactions. The trifluoromethyl group contributes to the compound's lipophilicity and can influence its reactivity and stability. Additionally, the presence of fluorine atoms typically enhances the compound's resistance to oxidation and can affect its electronic properties. The compound may be used in various applications, including as a building block in organic synthesis, in the development of pharmaceuticals, or as a reagent in chemical reactions. Its specific physical and chemical properties, such as boiling point, melting point, and solubility, would need to be determined experimentally or sourced from reliable chemical databases.

Formula: C₈H₇F₃S

InChI: InChI=1S/C8H7F3S/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4,12H,1H3

InChI key: InChIKey=DDBMOPIVOCVEAT-UHFFFAOYSA-N

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

Synonyms:

• Benzenethiol, 2-methyl-3-(trifluoromethyl)-
• 2-Methyl-3-(trifluoromethyl)benzenethiol

2-Methyl-3-trifluoromethylbenzenethiol

CAS: 1208075-42-6

Formula: C₈H₇F₃S

Color and Shape: Liquid, Clear

Molecular weight: 192.2

Ref: 10-F037950