Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate
TL;DR: Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate (CAS 128257-06-7) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetate
Also Known As: Maybridge3_004916, Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate, IDI1_016303, BAS 01862124, ethyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate
Technical Specifications
| Molecular Formula | C12H14N2O2S |
| Molecular Weight | 250.0776 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.0776 Da |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
| SMILES | CCOC(=O)CSC1=C(C(=CC(=N1)C)C)C#N |
| InChIKey | MJGLQPZIIGAXJZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate
Property Insights of Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate 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 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate?
The CAS number of Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate is 128257-06-7.
What is the molecular formula of Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate is C12H14N2O2S.
What is the molecular weight of Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate is 250.0776 g/mol.
Where can I buy Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.