TL;DR: 2-{2-[2-(2-Hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol (CAS 114502-78-2) is a chemical compound with molecular formula C14H30O4S and molecular weight 294.1865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethylsulfanyl]ethanol
Also Known As: 6,9,12-trioxa-3-thiaoctadecanol, 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethylsulfanyl]ethanol, 2-{2-[2-(2-hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol
| Molecular Formula | C14H30O4S |
| Molecular Weight | 294.1865 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 294.1865 Da |
| Heavy Atoms | 19 |
| Complexity | 158.0 |
| SMILES | CCCCCCOCCOCCOCCSCCO |
| InChIKey | UFSIVDFEYVZVLE-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[2-(2-Hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[2-(2-Hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol. Following Lipinski's Rule of Five, 2-{2-[2-(2-Hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{2-[2-(2-Hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol is 114502-78-2.
The molecular formula of 2-{2-[2-(2-Hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol is C14H30O4S.
The molecular weight of 2-{2-[2-(2-Hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol is 294.1865 g/mol.
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