CAS 1240562-53-1

Carbamimidothioic acid, N-(1-methylpropyl)-, 2-phenoxyethyl ester, hydrobromide (1:1)

Description:

Carbamimidothioic acid, N-(1-methylpropyl)-, 2-phenoxyethyl ester, hydrobromide (1:1) is a chemical compound characterized by its unique structure, which includes a carbamimidothioic acid moiety and an ester functional group. This compound typically exhibits properties associated with both thioamide and ester functionalities, which can influence its reactivity and solubility. The presence of the hydrobromide salt form suggests enhanced stability and solubility in polar solvents, making it suitable for various applications in organic synthesis and medicinal chemistry. The 1-methylpropyl group contributes to its hydrophobic characteristics, while the phenoxyethyl group may impart specific biological activity or interaction with biological targets. As with many chemical substances, safety data should be consulted, as it may pose hazards depending on concentration and exposure routes. Overall, this compound's unique combination of functional groups makes it a subject of interest for further research and potential applications in pharmaceuticals or agrochemicals.

Formula: C₁₃H₂₀N₂OS·BrH

InChI: InChI=1S/C13H20N2OS.BrH/c1-3-11(2)15-13(14)17-10-9-16-12-7-5-4-6-8-12;/h4-8,11H,3,9-10H2,1-2H3,(H2,14,15);1H

InChI key: InChIKey=CVKMFEJZHSMBPX-UHFFFAOYSA-N

SMILES: O(CCSC(NC(CC)C)=N)C1=CC=CC=C1.Br

Synonyms:

• N′-(Butan-2-yl)-1-[(2-phenoxyethyl)sulfanyl]methanimidamide hydrobromide
• Carbamimidothioic acid, N-(1-methylpropyl)-, 2-phenoxyethyl ester, hydrobromide (1:1)