(E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate
TL;DR: (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate (CAS 1039753-40-6) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate
Also Known As: 1-ethoxy-3-(methylsulfanyl)-3-pyridinio-1,3-dioxopropan-2-ide
Technical Specifications
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.06161 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.06161 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | CCOC(=O)/C(=C(/[O-])\SC)/[N+]1=CC=CC=C1 |
| InChIKey | ROZBAPCHMBGPCX-UHFFFAOYSA-N |
Chemical Property Profile of (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate
Property Insights of (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate. Following Lipinski's Rule of Five, (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate has 0 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 (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate?
The CAS number of (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate is 1039753-40-6.
What is the molecular formula of (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate?
The molecular formula of (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate is C11H13NO3S.
What is the molecular weight of (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate?
The molecular weight of (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate is 239.06161 g/mol.
Where can I buy (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate?
You can request a quote for (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate?
Yes, CoreyChem provides custom synthesis services for (E)-3-ethoxy-1-methylsulfanyl-3-oxo-2-pyridin-1-ium-1-ylprop-1-en-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.