CAS 1353976-55-2

Phenylmethyl N-[4-[(2-hydroxyethyl)thio]cyclohexyl]carbamate

Description:

Phenylmethyl N-[4-[(2-hydroxyethyl)thio]cyclohexyl]carbamate, identified by its CAS number 1353976-55-2, is a chemical compound that belongs to the class of carbamates. This substance features a phenylmethyl group, which contributes to its aromatic characteristics, and a cyclohexyl moiety that adds to its structural complexity. The presence of a thioether functional group, specifically a hydroxyethyl-thio linkage, suggests potential for hydrogen bonding and increased solubility in polar solvents. The carbamate functional group indicates that it may exhibit biological activity, potentially serving as a pharmacophore in medicinal chemistry. The compound's molecular structure implies it may possess moderate lipophilicity, influencing its distribution and interaction with biological membranes. Additionally, the presence of hydroxyl groups can enhance its reactivity and solubility in aqueous environments. Overall, this compound's unique structural features may contribute to its potential applications in pharmaceuticals or agrochemicals, although specific biological or chemical properties would require further investigation.

Formula: C₁₆H₂₃NO₃S

InChI: InChI=1S/C16H23NO3S/c18-10-11-21-15-8-6-14(7-9-15)17-16(19)20-12-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2,(H,17,19)

InChI key: InChIKey=QXGQTALMCUYELV-UHFFFAOYSA-N

SMILES: N(C(OCC1=CC=CC=C1)=O)C2CCC(SCCO)CC2

Synonyms:

• [4-(2-Hydroxy-ethylsulfanyl)-cyclohexyl]-carbamic acid benzyl ester
• Carbamic acid, N-[4-[(2-hydroxyethyl)thio]cyclohexyl]-, phenylmethyl ester
• Phenylmethyl N-[4-[(2-hydroxyethyl)thio]cyclohexyl]carbamate