Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate
TL;DR: Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate (CAS 113858-90-5) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate
Also Known As: ethyl 5-cyano-6-mercapto-2-methylnicotinate, Maybridge1_008945, ethyl 5-cyano-2-methyl-6-sulfanylpyridine-3-carboxylate, Ethyl5-cyano-6-mercapto-2-methylnicotinate, ethyl 5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.0463 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 | 222.0463 Da |
| Heavy Atoms | 15 |
| Complexity | 426.0 |
| SMILES | CCOC(=O)C1=C(NC(=S)C(=C1)C#N)C |
| InChIKey | YMUNSRSFLNLDAF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate
Property Insights of Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate 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-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
The CAS number of Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate is 113858-90-5.
What is the molecular formula of Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
The molecular formula of Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate is C10H10N2O2S.
What is the molecular weight of Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
The molecular weight of Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate is 222.0463 g/mol.
Where can I buy Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
You can request a quote for Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.