4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide
TL;DR: 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide (CAS 127868-39-7) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-ethylpyridin-1-ium-1-yl)-5-formyl-1,3-thiazol-2-olate
Also Known As: 4-(3-ethyl-1-pyridiniumyl)-5-formyl-1,3-thiazol-2-olate, 4-(3-ethylpyridin-1-ium-1-yl)-5-formyl-2-oxothiazol-3-ide, 4-(3-ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide, [4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate, (E)-[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate
Technical Specifications
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.0463 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | CCC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=O |
| InChIKey | DTRQNYVZJYZNQW-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide
Property Insights of 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide
The XLogP value of 3.2 indicates that 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide. Following Lipinski's Rule of Five, 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide 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 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
The CAS number of 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide is 127868-39-7.
What is the molecular formula of 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
The molecular formula of 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide is C11H10N2O2S.
What is the molecular weight of 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
The molecular weight of 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide is 234.0463 g/mol.
Where can I buy 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
You can request a quote for 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
Yes, CoreyChem provides custom synthesis services for 4-(3-Ethylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.