CAS 898762-90-8

ethyl 2-[3-(thiomorpholinomethyl)benzoyl]benzoate

Description:

Ethyl 2-[3-(thiomorpholinomethyl)benzoyl]benzoate, identified by its CAS number 898762-90-8, is a chemical compound that belongs to the class of esters. It features a benzoate structure, which is characterized by the presence of a benzene ring attached to a carboxylate group. The compound also contains a thiomorpholine moiety, which is a six-membered ring containing sulfur and nitrogen, contributing to its unique properties. Ethyl 2-[3-(thiomorpholinomethyl)benzoyl]benzoate is typically used in organic synthesis and may exhibit biological activity, making it of interest in medicinal chemistry. Its molecular structure suggests potential interactions with biological targets, and it may possess properties such as lipophilicity due to the aromatic components. The presence of the ethyl ester group can influence its solubility and reactivity. As with many organic compounds, safety data should be consulted for handling and usage, as it may pose health risks or environmental hazards.

Formula: C₂₁H₂₃NO₃S

InChI: InChI=1S/C21H23NO3S/c1-2-25-21(24)19-9-4-3-8-18(19)20(23)17-7-5-6-16(14-17)15-22-10-12-26-13-11-22/h3-9,14H,2,10-13,15H2,1H3

InChI key: InChIKey=SJFTYNPVLYUKNN-UHFFFAOYSA-N

SMILES: CCOC(=O)c1ccccc1C(=O)c1cccc(c1)CN1CCSCC1

2-carboethoxy-3′-thiomorpholinomethyl benzophenone

CAS: 898762-90-8

Formula: C₂₁H₂₃NO₃S

Purity: 97.0%

Molecular weight: 369.48

Ref: 10-F204950