CAS 97314-05-1

N-[2-(acetylsulfanyl)ethyl]-2-amino-1-oxoethanaminium trifluoroacetate

Description:

N-[2-(acetylsulfanyl)ethyl]-2-amino-1-oxoethanaminium trifluoroacetate, identified by its CAS number 97314-05-1, is a chemical compound that features a complex structure incorporating both amino and acetylsulfanyl functional groups. This substance is characterized by its zwitterionic nature, which arises from the presence of both a positively charged ammonium group and a negatively charged carboxylate group from the trifluoroacetate moiety. The acetylsulfanyl group contributes to its reactivity and potential applications in organic synthesis or medicinal chemistry. The trifluoroacetate component enhances solubility in polar solvents and may influence the compound's biological activity. Additionally, the presence of the amino and carbonyl functionalities suggests potential for hydrogen bonding and interactions with biological targets. Overall, this compound's unique structural features may provide avenues for research in drug development or as a biochemical probe, although specific applications would depend on further studies regarding its properties and interactions.

Formula: C₈H₁₃F₃N₂O₄S

InChI: InChI=1/C6H12N2O2S.C2HF3O2/c1-5(9)11-3-2-8-6(10)4-7;3-2(4,5)1(6)7/h2-4,7H2,1H3,(H,8,10);(H,6,7)

SMILES: CC(=O)SCCN=C(CN)O.Br

Synonyms:

• 2-{[2-(Acetylsulfanyl)Ethyl]Amino}-2-Oxoethanaminium Bromide
• ethanethioic acid, S-[2-[(2-aminoacetyl)amino]ethyl] ester, hydrobromide (1:1)
• 2-{[2-(acetylsulfanyl)ethyl]amino}-2-oxoethanaminium trifluoroacetate