116170-90-2 | Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$19.00	$14.00
250mg	97%	in stock	$28.00	$19.00
1g	97%	in stock	$66.00	$46.00
5g	97%	in stock	$168.00	$118.00

Description

• Catalog Number: AA15095
• Chemical Name: Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate
• CAS Number: 116170-90-2
• Molecular Formula: C9H10N2O2S2
• Molecular Weight: 242.3179
• MDL Number: MFCD00085050
• SMILES: CCOC(=O)c1sc(c(c1N)C#N)SC

Computed Properties

• Complexity: 289
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 2.6

Upstream Synthesis Route

Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate is a versatile compound that finds significant application in chemical synthesis. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its unique structural features.In chemical synthesis, Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate can be utilized as a key intermediate in the production of heterocyclic compounds. Its amino, cyano, and carboxylate moieties make it a valuable starting material for the synthesis of complex molecules with diverse pharmacological activities. The presence of sulfur in the thiophene ring provides additional reactivity that can be leveraged in the elaboration of novel molecular architectures.Furthermore, the selective functional groups present in Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate enable chemists to perform various derivatization reactions to introduce specific functionalities at desired positions. This flexibility in modification allows for the fine-tuning of molecular properties, leading to the development of new compounds with tailored characteristics.Overall, the strategic incorporation of Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate in chemical synthesis offers a pathway to accessing a diverse array of structurally intricate molecules with potential applications across different industries.