TL;DR: 1,3-Dithiolane, 2,4-dimethyl-2-isopropyl- (CAS 102107-32-4) is a chemical compound with molecular formula C8H16S2 and molecular weight 176.06934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethyl-2-propan-2-yl-1,3-dithiolane
Also Known As: 2,4-Dimethyl-2-isopropyl-1,3-dithiolane, 1,3-DITHIOLANE, 2,4-DIMETHYL-2-ISOPROPYL-, 2,4-dimethyl-2-(propan-2-yl)-1,3-dithiolane, 2,4-dimethyl-2-propan-2-yl-1,3-dithiolane, BRN 5491140
| Molecular Formula | C8H16S2 |
| Molecular Weight | 176.06934 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.06934 Da |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
| SMILES | CC1CSC(S1)(C)C(C)C |
| InChIKey | FEBMSOAQOBLNRK-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 1,3-Dithiolane, 2,4-dimethyl-2-isopropyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dithiolane, 2,4-dimethyl-2-isopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2,4-dimethyl-2-isopropyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Dithiolane, 2,4-dimethyl-2-isopropyl- is 102107-32-4.
The molecular formula of 1,3-Dithiolane, 2,4-dimethyl-2-isopropyl- is C8H16S2.
The molecular weight of 1,3-Dithiolane, 2,4-dimethyl-2-isopropyl- is 176.06934 g/mol.
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