Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate
TL;DR: Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate (CAS 113858-93-8) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-cyano-2,4-dimethyl-6-sulfanylidene-1H-pyridine-3-carboxylate
Also Known As: 3-cyano-4,6-dimethyl-5-(ethoxycarbonyl)pyridine-2(1H)-thione, Ethyl 5-cyano-2,4-dimethyl-6-sulfanylidene-1H-pyridine-3-carboxylate, ethyl 5-cyano-2,4-dimethyl-6-sulfanylpyridine-3-carboxylate, ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 466.0 |
| SMILES | CCOC(=O)C1=C(NC(=S)C(=C1C)C#N)C |
| InChIKey | FUNZEGOILJRSHK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate
Property Insights of Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate?
The CAS number of Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate is 113858-93-8.
What is the molecular formula of Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate?
The molecular formula of Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate is C11H12N2O2S.
What is the molecular weight of Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate?
The molecular weight of Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate is 236.06195 g/mol.
Where can I buy Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate?
You can request a quote for Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-cyano-2,4-dimethyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.