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CAS 21055-41-4

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Methyl L-2-isothiocyanato-3-methylbutyrate

Description:
Methyl L-2-isothiocyanato-3-methylbutyrate, with the CAS number 21055-41-4, is an organic compound characterized by the presence of an isothiocyanate functional group. This compound is typically a colorless to pale yellow liquid with a distinctive odor, often associated with mustard or horseradish due to the isothiocyanate moiety. It is soluble in organic solvents and exhibits moderate stability under standard conditions. The compound is known for its potential applications in the fields of agriculture, particularly as a biofumigant and pest repellent, due to its ability to disrupt the life cycles of certain pests and pathogens. Additionally, it may have implications in the food industry for flavoring and preservation. As with many isothiocyanates, it may exhibit biological activity, including antimicrobial and anticancer properties, although further research is necessary to fully elucidate its mechanisms and efficacy. Proper handling and safety precautions are advised, as isothiocyanates can be irritants and may pose health risks upon exposure.
Formula:C7H11NO2S
InChI:InChI=1/C7H11NO2S/c1-5(2)6(8-4-11)7(9)10-3/h5-6H,1-3H3/t6-/m0/s1
SMILES:CC(C)[C@@H](C(=O)OC)N=C=S
Synonyms:
  • methyl N-(thioxomethylidene)-L-valinate
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