CAS 956576-59-3

2,4-Dimethyl 5-isothiocyanato-3-methyl-2,4-thiophenedicarboxylate

Description:

2,4-Dimethyl 5-isothiocyanato-3-methyl-2,4-thiophenedicarboxylate is a chemical compound characterized by its unique structure, which includes multiple functional groups such as isothiocyanate and carboxylate. This compound features a thiophene ring, which contributes to its aromatic properties and potential reactivity. The presence of isothiocyanate suggests that it may exhibit biological activity, particularly in relation to its potential as a herbicide or in other agricultural applications. The dimethyl and methyl substituents on the thiophene ring can influence its solubility, stability, and interaction with biological systems. Additionally, the compound's molecular structure may allow for various synthetic modifications, making it of interest in organic synthesis and medicinal chemistry. Its CAS number, 956576-59-3, allows for easy identification in chemical databases, facilitating research and development in fields such as agrochemicals and pharmaceuticals. Overall, this compound represents a fascinating area of study due to its potential applications and the complexity of its chemical behavior.

Formula: C₁₀H₉NO₄S₂

InChI: InChI=1S/C10H9NO4S2/c1-5-6(9(12)14-2)8(11-4-16)17-7(5)10(13)15-3/h1-3H3

InChI key: InChIKey=QAIHQRCRVSQBDA-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(N=C=S)SC(C(OC)=O)=C1C

Synonyms:

• 2,4-Thiophenedicarboxylic acid, 5-isothiocyanato-3-methyl-, 2,4-dimethyl ester
• 2,4-Dimethyl 5-isothiocyanato-3-methyl-2,4-thiophenedicarboxylate