CAS 1152550-39-4

2,4-Difluoro-α-methylbenzenemethanethiol

Description:

2,4-Difluoro-α-methylbenzenemethanethiol, identified by its CAS number 1152550-39-4, is an organofluorine compound characterized by the presence of two fluorine atoms and a thiol functional group. This compound features a methyl group and a thiol (-SH) group attached to a benzene ring, which is further substituted with fluorine atoms at the 2 and 4 positions. The presence of fluorine enhances the compound's chemical stability and lipophilicity, making it potentially useful in various applications, including pharmaceuticals and agrochemicals. The thiol group contributes to its reactivity, allowing for potential interactions with other chemical species, particularly in nucleophilic substitution reactions. Additionally, the compound's unique structure may impart specific biological activities, making it of interest in medicinal chemistry. Its physical properties, such as boiling point, melting point, and solubility, would depend on the molecular interactions influenced by the fluorine and thiol groups. Overall, 2,4-Difluoro-α-methylbenzenemethanethiol represents a unique class of compounds with diverse potential applications.

Formula: C₈H₈F₂S

InChI: InChI=1S/C8H8F2S/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3

InChI key: InChIKey=RYHLVILIGZROGV-UHFFFAOYSA-N

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

Synonyms:

• Benzenemethanethiol, 2,4-difluoro-α-methyl-
• 2,4-Difluoro-α-methylbenzenemethanethiol