CAS 898781-93-6

1-Cyclohexyl-3-[4-(methylthio)phenyl]-1-propanone

Description:

1-Cyclohexyl-3-[4-(methylthio)phenyl]-1-propanone, with the CAS number 898781-93-6, is an organic compound that belongs to the class of ketones. It features a cyclohexyl group and a phenyl group substituted with a methylthio group, contributing to its unique chemical properties. This compound is typically characterized by its relatively high molecular weight and specific structural features that influence its reactivity and solubility. It is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. The presence of the methylthio group can enhance the compound's lipophilicity, affecting its interaction with biological systems. Additionally, its ketone functional group is known for participating in nucleophilic addition reactions, making it a versatile building block in synthetic chemistry. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken due to potential toxicity or reactivity.

Formula: C₁₆H₂₂OS

InChI: InChI=1S/C16H22OS/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9,12H2,1H3

InChI key: InChIKey=VYSRWGLCJADJIS-UHFFFAOYSA-N

SMILES: C(CCC1=CC=C(SC)C=C1)(=O)C2CCCCC2

Synonyms:

• 1-Propanone, 1-cyclohexyl-3-[4-(methylthio)phenyl]-
• 1-Cyclohexyl-3-[4-(methylthio)phenyl]-1-propanone