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CAS 24066-82-8

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Ethyl 2-isothiocyanatoacetate

Description:
Ethyl 2-isothiocyanatoacetate, with the CAS number 24066-82-8, is an organic compound characterized by the presence of both an isothiocyanate functional group and an ester group. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water. Ethyl 2-isothiocyanatoacetate is known for its reactivity, particularly in nucleophilic substitution reactions, due to the electrophilic nature of the isothiocyanate group. This compound is often utilized in organic synthesis and can serve as a building block for various chemical reactions, including the synthesis of thioureas and other nitrogen-containing compounds. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry and agrochemical applications. As with many isothiocyanates, it is important to handle this compound with care due to potential toxicity and irritant properties.
Formula:C5H7NO2S
InChI:InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3
InChI key:InChIKey=IYPSSPPKMLXXRN-UHFFFAOYSA-N
SMILES:C(CN=C=S)(OCC)=O
Synonyms:
  • Acetic acid, 2-isothiocyanato-, ethyl ester
  • Acetic acid, isothiocyanato-, ethyl ester
  • Carbethoxymethyl isothiocyanate
  • Carboethoxymethyl isothiocyanate
  • Ethoxycarbonylmethyl isothiocyanate
  • Ethyl 2-isothiocyanatoacetate
  • Isothiocyanatoacetic acid ethyl ester
  • ethyl N-(thioxomethylidene)glycinate
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