CAS 155863-33-5

Ethanol, 2-(4-isothiocyanatophenoxy)-, 1-(4-methylbenzenesulfonate)

Description:

Ethanol, 2-(4-isothiocyanatophenoxy)-, 1-(4-methylbenzenesulfonate), with the CAS number 155863-33-5, is a chemical compound characterized by its complex structure, which includes an isothiocyanate functional group and a sulfonate moiety. This compound is typically used in chemical synthesis and research applications, particularly in the development of pharmaceuticals and agrochemicals. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic substitution reactions, while the sulfonate group may enhance solubility in polar solvents. Ethanol serves as a solvent and a functional group in this compound, contributing to its overall properties. The compound's molecular interactions may be influenced by its functional groups, making it of interest in studies related to biological activity and material science. Safety data and handling precautions should be observed due to the potential toxicity associated with isothiocyanates. Overall, this compound exemplifies the diverse applications of organic chemistry in creating molecules with specific reactivity and functional properties.

Formula: C₁₆H₁₅NO₄S₂

InChI: InChI=1S/C16H15NO4S2/c1-13-2-8-16(9-3-13)23(18,19)21-11-10-20-15-6-4-14(5-7-15)17-12-22/h2-9H,10-11H2,1H3

InChI key: InChIKey=LILJDLJORCAIDG-UHFFFAOYSA-N

SMILES: S(OCCOC1=CC=C(N=C=S)C=C1)(=O)(=O)C2=CC=C(C)C=C2

Synonyms:

• Ethanol, 2-(4-isothiocyanatophenoxy)-, 4-methylbenzenesulfonate (ester)
• Ethanol, 2-(4-isothiocyanatophenoxy)-, 1-(4-methylbenzenesulfonate)
• 2-(4-Isothiocyanatophenoxy)ethyl 4-methylbenzenesulfonate

Ethanol, 2-(4-isothiocyanatophenoxy)-, 1-(4-methylbenzenesulfonate)

CAS: 155863-33-5

Formula: C₁₆H₁₅NO₄S₂

Molecular weight: 349.4246

Ref: IN-DA001OB0