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CAS 21055-37-8

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Methyl 2-isothiocyanatoacetate

Description:
Methyl 2-isothiocyanatoacetate, with the CAS number 21055-37-8, is an organic compound characterized by the presence of both isothiocyanate and ester functional groups. It typically appears as a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, due to the isothiocyanate moiety. This compound is soluble in organic solvents such as ethanol and ether but has limited solubility in water. Methyl 2-isothiocyanatoacetate is known for its reactivity, particularly in nucleophilic substitution reactions, making it useful in organic synthesis and as a building block in the preparation of various bioactive compounds. It has applications in the fields of agrochemicals and pharmaceuticals, often serving as a precursor for the synthesis of other isothiocyanate derivatives. Due to its potential biological activity, including antimicrobial and anticancer properties, it has garnered interest in medicinal chemistry. However, safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and pose health risks.
Formula:C4H5NO2S
InChI:InChI=1/C4H5NO2S/c1-7-4(6)2-5-3-8/h2H2,1H3
SMILES:COC(=O)CN=C=S
Synonyms:
  • 2-Isothiocyanatoacetic acid methyl ester
  • Thyl 2-Isothiocyanatoacetate
  • methyl N-(thioxomethylidene)glycinate
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