CAS 1251099-47-4

2-[(1-Methylethyl)[[4-(methylthio)phenyl]methyl]amino]ethanol

Description:

2-[(1-Methylethyl)[[4-(methylthio)phenyl]methyl]amino]ethanol, with CAS number 1251099-47-4, is a chemical compound characterized by its complex structure, which includes an ethanolamine backbone. This substance features a branched alkyl group (isopropyl) attached to a nitrogen atom, along with a phenyl ring substituted with a methylthio group, contributing to its unique properties. The presence of the amino group indicates potential basicity, while the hydroxyl group suggests the ability to engage in hydrogen bonding, which can influence its solubility and reactivity. The methylthio substitution may enhance lipophilicity, affecting its interaction with biological membranes. This compound may exhibit pharmacological activity, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. As with many organic compounds, safety data and handling precautions should be considered due to potential toxicity or reactivity.

Formula: C₁₃H₂₁NOS

InChI: InChI=1S/C13H21NOS/c1-11(2)14(8-9-15)10-12-4-6-13(16-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3

InChI key: InChIKey=NXGVFWQABHTKLF-UHFFFAOYSA-N

SMILES: C(N(CCO)C(C)C)C1=CC=C(SC)C=C1

Synonyms:

• 2-[(1-Methylethyl)[[4-(methylthio)phenyl]methyl]amino]ethanol
• Ethanol, 2-[(1-methylethyl)[[4-(methylthio)phenyl]methyl]amino]-