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CAS 39574-16-8

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Ethyl 2-isothiocyanatopropionate

Description:
Ethyl 2-isothiocyanatopropionate, with the CAS number 39574-16-8, is an organic compound characterized by the presence of an isothiocyanate functional group. This compound typically appears as a colorless to pale yellow liquid with a pungent odor, which is characteristic of isothiocyanates. It is soluble in organic solvents and has limited solubility in water. Ethyl 2-isothiocyanatopropionate is known for its potential applications in the fields of agriculture and food science, particularly as a bioactive compound with pest-repellent properties. The compound can be synthesized through the reaction of ethyl 2-mercaptopropionate with a suitable isothiocyanate precursor. Its reactivity is influenced by the isothiocyanate group, which can participate in various chemical reactions, including nucleophilic substitutions. Safety considerations are important when handling this compound, as isothiocyanates can be irritants and may pose health risks if inhaled or ingested. Overall, ethyl 2-isothiocyanatopropionate is a notable compound within the realm of organic chemistry and its applications.
Formula:C6H9NO2S
InChI:InChI=1/C6H9NO2S/c1-3-9-6(8)5(2)7-4-10/h5H,3H2,1-2H3/t5-/m1/s1
SMILES:CCOC(=O)[C@@H](C)N=C=S
Synonyms:
  • 2-Isothiocyanatopropionic acid ethyl ester
  • ethyl N-(thioxomethylidene)alaninate
  • ethyl N-(thioxomethylidene)-L-alaninate
  • ethyl N-(thioxomethylidene)-D-alaninate
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