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CAS 98998-60-8

:

methyl 6-(carbamothioylamino)hexanoate

Description:
Methyl 6-(carbamothioylamino)hexanoate, identified by its CAS number 98998-60-8, is an organic compound characterized by the presence of a hexanoate chain, a methyl ester group, and a carbamothioylamino functional group. This compound features a carbon chain of six carbon atoms, which contributes to its hydrophobic characteristics, while the methyl ester group enhances its solubility in organic solvents. The carbamothioylamino group introduces both nitrogen and sulfur into the molecular structure, which can influence its reactivity and potential biological activity. Methyl 6-(carbamothioylamino)hexanoate may exhibit properties typical of thioamide compounds, such as potential antimicrobial or antifungal activities, although specific biological effects would require empirical investigation. Additionally, the presence of functional groups suggests that it may participate in various chemical reactions, including nucleophilic substitutions or condensation reactions. Overall, this compound's unique structure positions it as a candidate for further research in fields such as medicinal chemistry or agrochemicals.
Formula:C8H16N2O2S
InChI:InChI=1/C8H16N2O2S/c1-12-7(11)5-3-2-4-6-10-8(9)13/h2-6H2,1H3,(H3,9,10,13)
SMILES:COC(=O)CCCCCNC(=N)S
Synonyms:
  • Methyl 6-[(Aminocarbonothioyl)Amino]Hexanoate
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