CAS 961-39-7

2,4,6-Tris(1,1-dimethylethyl)benzenethiol

Description:

2,4,6-Tris(1,1-dimethylethyl)benzenethiol, also known by its CAS number 961-39-7, is an organosulfur compound characterized by the presence of a thiol (-SH) functional group attached to a benzene ring that is further substituted with three bulky tert-butyl groups. This structure imparts significant steric hindrance, which can influence its reactivity and solubility. The compound is typically a solid at room temperature and is known for its hydrophobic properties due to the large tert-butyl groups. It exhibits antioxidant properties, making it useful in various applications, including as a stabilizer in polymers and as a reagent in organic synthesis. The presence of the thiol group allows for potential applications in metal ion chelation and as a reducing agent. Additionally, its unique structure may contribute to its behavior in biological systems, although specific biological activity would depend on various factors including concentration and environmental conditions. Overall, 2,4,6-Tris(1,1-dimethylethyl)benzenethiol is a versatile compound with applications in materials science and organic chemistry.

Formula: C₁₈H₃₀S

InChI: InChI=1S/C18H30S/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3

InChI key: InChIKey=USBODICZKVQDMW-UHFFFAOYSA-N

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

Synonyms:

• Benzenethiol, 2,4,6-tris(1,1-dimethylethyl)-
• Benzenethiol, 2,4,6-tri-tert-butyl-
• 2,4,6-Tri-tert-butylbenzenethiol
• 2,4,6-Tritert-butylbenzenethiol
• 2,4,6-Tris(1,1-dimethylethyl)benzenethiol