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CAS 21055-47-0

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Methyl L-2-isothiocyanato-4-(methylthio)butyrate

Description:
Methyl L-2-isothiocyanato-4-(methylthio)butyrate, with the CAS number 21055-47-0, is an organic compound characterized by its isothiocyanate functional group, which is known for its pungent odor and potential biological activity. This compound features a methylthio group, contributing to its unique chemical properties and reactivity. Isothiocyanates are often derived from glucosinolates found in cruciferous vegetables and are studied for their potential health benefits, including anti-cancer properties. The presence of the butyrate moiety suggests that it may have applications in flavoring or as a food additive. Additionally, the compound's structure indicates it may exhibit specific interactions with biological systems, making it of interest in both medicinal chemistry and agricultural applications. Its synthesis typically involves the reaction of appropriate precursors under controlled conditions to ensure the stability of the isothiocyanate group, which can be sensitive to hydrolysis. Overall, this compound exemplifies the diverse chemistry of isothiocyanates and their relevance in various fields, including nutrition and pharmacology.
Formula:C7H11NO2S2
InChI:InChI=1/C7H11NO2S2/c1-10-7(9)6(8-5-11)3-4-12-2/h6H,3-4H2,1-2H3/t6-/m0/s1
SMILES:COC(=O)[C@H](CCSC)N=C=S
Synonyms:
  • Methyl 2-isothiocyanato-4-(methylthio)butyrate
  • methyl N-(thioxomethylidene)methioninate
  • methyl N-(thioxomethylidene)-D-methioninate
  • methyl N-(thioxomethylidene)-L-methioninate
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