CAS 85716-85-4

ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate

Description:

Ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate, with the CAS number 85716-85-4, 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 brownish color and is soluble in organic solvents, which is common for many thiophene derivatives. Its isothiocyanate group is known for its reactivity, particularly in nucleophilic substitution reactions, making it a valuable intermediate in organic synthesis. The presence of the ethyl ester enhances its lipophilicity, potentially influencing its biological activity and interaction with various biological systems. Additionally, compounds of this nature may exhibit interesting pharmacological properties, including antimicrobial or anticancer activities, although specific biological data would depend on empirical studies. Overall, ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate represents a versatile building block in the field of medicinal chemistry and materials science.

Formula: C₁₀H₁₁NO₂S₂

InChI: InChI=1/C10H11NO2S2/c1-4-13-10(12)8-6(2)7(3)15-9(8)11-5-14/h4H2,1-3H3

SMILES: CCOC(=O)c1c(C)c(C)sc1N=C=S

Ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate

CAS: 85716-85-4

Versatile small molecule scaffold

Formula: C₁₀H₁₁NO₂S₂

Purity: Min. 95%

Molecular weight: 241.3 g/mol

Ref: 3D-KDA71685