Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate
TL;DR: Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate (CAS 113858-96-1) 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-methyl-6-methylsulfanylpyridine-3-carboxylate
Also Known As: Maybridge3_007375, IDI1_018762, J1.018.357J, ethyl 5-cyano-2-methyl-6-(methylthio)nicotinate, ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SC)C |
| InChIKey | QIPQZNAEXRSZTC-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate
Property Insights of Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate has 0 hydrogen bond donor(s) and 5 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-methylsulfanylpyridine-3-carboxylate?
The CAS number of Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate is 113858-96-1.
What is the molecular formula of Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate?
The molecular formula of Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate is C11H12N2O2S.
What is the molecular weight of Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate?
The molecular weight of Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate is 236.06195 g/mol.
Where can I buy Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate?
You can request a quote for Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-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-methylsulfanylpyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.