CAS 125617-43-8

1-[4-[(3-Bromopropyl)thio]-2-hydroxy-3-propylphenyl]ethanone

Description:

1-[4-[(3-Bromopropyl)thio]-2-hydroxy-3-propylphenyl]ethanone, with the CAS number 125617-43-8, is an organic compound characterized by its complex structure, which includes a phenolic moiety, a bromopropyl group, and a ketone functional group. This compound features a thioether linkage, which contributes to its reactivity and potential biological activity. The presence of the hydroxyl group indicates that it may exhibit hydrogen bonding capabilities, influencing its solubility and interaction with other molecules. The bromine atom in the structure can enhance the compound's electrophilic properties, making it a candidate for various chemical reactions. Additionally, the propyl groups provide hydrophobic characteristics, which may affect its partitioning in biological systems. Overall, this compound's unique combination of functional groups suggests potential applications in pharmaceuticals or as a synthetic intermediate in organic chemistry. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₄H₁₉BrO₂S

InChI: InChI=1S/C14H19BrO2S/c1-3-5-12-13(18-9-4-8-15)7-6-11(10(2)16)14(12)17/h6-7,17H,3-5,8-9H2,1-2H3

InChI key: InChIKey=KNQROEPUZNODJT-UHFFFAOYSA-N

SMILES: C(CC)C1=C(SCCCBr)C=CC(C(C)=O)=C1O

Synonyms:

• 4-[(3-Bromopropyl)thio]-2-hydroxy-3-propylphenylethanone
• Ethanone, 1-[4-[(3-bromopropyl)thio]-2-hydroxy-3-propylphenyl]-
• 1-[4-[(3-Bromopropyl)thio]-2-hydroxy-3-propylphenyl]ethanone

Ethanone, 1-[4-[(3-bromopropyl)thio]-2-hydroxy-3-propylphenyl]-

CAS: 125617-43-8

Formula: C₁₄H₁₉BrO₂S

Molecular weight: 331.2685

Ref: IN-DA000NYU