TL;DR: 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane (CAS 114811-37-9) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-ethenylsulfanylethylsulfanyl)ethanol
Also Known As: 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane, Ethanol, 2-[[2-(ethenylthio)ethyl]thio]-, 2-(2-ethenylsulfanylethylsulfanyl)ethanol, (2-Hydroxyethylthio)ethyl vinyl sulfide, 2-CHLOROETHYL-4-CHLOROBUTYLSULPHIDE
| Molecular Formula | C6H12OS2 |
| Molecular Weight | 164.03296 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.03296 Da |
| Heavy Atoms | 9 |
| Complexity | 66.0 |
| SMILES | C=CSCCSCCO |
| InChIKey | AOIHPKYLXCJSNB-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane. Following Lipinski's Rule of Five, 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane is 114811-37-9.
The molecular formula of 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane is C6H12OS2.
The molecular weight of 1-(2-Hydroxyethylthio)-2-(vinylthio)ethane is 164.03296 g/mol.
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