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CAS 81321-15-5

:

methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate

Description:
Methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate, with the CAS number 81321-15-5, is a chemical compound characterized by its unique structure that includes a thiophene ring, an isothiocyanate functional group, and an ester moiety. This compound typically exhibits a yellow to brown color and is known for its strong, pungent odor, which is characteristic of isothiocyanates. It is soluble in organic solvents but has limited solubility in water. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic addition reactions, making it of interest in organic synthesis and possibly in agrochemical applications. Additionally, compounds of this nature may exhibit biological activity, including antimicrobial or herbicidal properties, due to the presence of the thiophene and isothiocyanate functionalities. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks. Overall, methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate is a compound of interest in both synthetic and applied chemistry contexts.
Formula:C8H7NO2S2
InChI:InChI=1/C8H7NO2S2/c1-5-3-13-7(8(10)11-2)6(5)9-4-12/h3H,1-2H3
SMILES:Cc1csc(c1N=C=S)C(=O)OC
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