CAS 1201907-57-4

Dodecanoic acid, 12-isothiocyanato-

Description:

Dodecanoic acid, 12-isothiocyanato- is a chemical compound characterized by the presence of a dodecanoic acid backbone, which is a saturated fatty acid with a long carbon chain consisting of twelve carbon atoms. The isothiocyanate functional group (-N=C=S) is attached to the 12th carbon of the dodecanoic acid, imparting unique reactivity and properties to the molecule. Isothiocyanates are known for their pungent odor and potential biological activity, including antimicrobial and anticancer properties. This compound may exhibit hydrophobic characteristics due to its long hydrocarbon chain, influencing its solubility in organic solvents rather than water. Additionally, the presence of the isothiocyanate group can enhance its reactivity in various chemical reactions, making it a subject of interest in organic synthesis and medicinal chemistry. Overall, dodecanoic acid, 12-isothiocyanato- combines features of fatty acids and isothiocyanates, potentially offering diverse applications in pharmaceuticals and agrochemicals.

Formula: C₁₃H₂₃NO₂S

InChI: InChI=1S/C13H23NO2S/c15-13(16)10-8-6-4-2-1-3-5-7-9-11-14-12-17/h1-11H2,(H,15,16)

InChI key: InChIKey=DTIPKHFBFKTCDK-UHFFFAOYSA-N

SMILES: C(CCCCCN=C=S)CCCCCC(O)=O

Synonyms:

• Dodecanoic acid, 12-isothiocyanato-
• 12-Isothiocyanatododecanoic acid