TL;DR: 2-(2-Pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane (CAS 135937-82-5) is a chemical compound with molecular formula C11H20O2S and molecular weight 216.11841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane
Also Known As: 1,3-Dioxolane, 2-[1-methyl-1-(4-penten-1-ylthio)ethyl]-, 2-(2-pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane
| Molecular Formula | C11H20O2S |
| Molecular Weight | 216.11841 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.11841 Da |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
| SMILES | CC(C)(C1OCCO1)SCCCC=C |
| InChIKey | FUSSYQBTHJKMAO-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane. With a topological polar surface area (TPSA) of 43.8 Ų, 2-(2-Pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane has 0 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 2-(2-Pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane is 135937-82-5.
The molecular formula of 2-(2-Pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane is C11H20O2S.
The molecular weight of 2-(2-Pent-4-enylsulfanylpropan-2-yl)-1,3-dioxolane is 216.11841 g/mol.
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