CAS 845822-88-0

4′-Butyl[1,1′-biphenyl]-3-thiol

Description:

4′-Butyl[1,1′-biphenyl]-3-thiol, with the CAS number 845822-88-0, is an organic compound characterized by its biphenyl structure substituted with a butyl group and a thiol (-SH) functional group. This compound typically exhibits properties associated with both aromatic compounds and thiols, such as moderate solubility in organic solvents and potential reactivity due to the presence of the thiol group. The butyl substituent contributes to its hydrophobic characteristics, influencing its solubility and interaction with other molecules. Thiols are known for their distinctive odors and can participate in various chemical reactions, including oxidation to form disulfides. The presence of the biphenyl moiety may also impart unique electronic properties, making this compound of interest in materials science and organic synthesis. Additionally, compounds like this can be studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic reactions. Safety data should be consulted for handling and storage, as thiols can be sensitive to air and moisture.

Formula: C₁₆H₁₈S

InChI: InChI=1S/C16H18S/c1-2-3-5-13-8-10-14(11-9-13)15-6-4-7-16(17)12-15/h4,6-12,17H,2-3,5H2,1H3

InChI key: InChIKey=PDKNPTQEAXFNKT-UHFFFAOYSA-N

SMILES: SC=1C=C(C2=CC=C(CCCC)C=C2)C=CC1

Synonyms:

• [1,1′-Biphenyl]-3-thiol, 4′-butyl-
• 4′-Butyl[1,1′-biphenyl]-3-thiol