TL;DR: 1,3,2-Oxathiaborinane, 4,6-dimethyl-2-(1-methylethyl)- (CAS 143674-23-1) is a chemical compound with molecular formula C8H17BOS and molecular weight 172.10931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-2-propan-2-yl-1,3,2-oxathiaborinane
Also Known As: 1,3,2-Oxathiaborinane, 4,6-dimethyl-2-(1-methylethyl)-, 2-Izopropyl-4,6-dimethyl-1,3,2-oxathiaborinane, 4,6-dimethyl-2-propan-2-yl-1,3,2-oxathiaborinane, 2-Isopropyl-4,6-dimethyl-1,3,2-oxathiaborinane, 1,3,2-Oxathiaborinane, 2-isopropyl-4,6-dimethyl-
| Molecular Formula | C8H17BOS |
| Molecular Weight | 172.10931 g/mol |
| XLogP | 2.8151 |
| Topological Polar Surface Area (TPSA) | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10931 Da |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
| SMILES | B1(OC(CC(S1)C)C)C(C)C |
| InChIKey | KZLGRRDEWSFFAJ-UHFFFAOYSA-N |
The XLogP value of 2.8151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Oxathiaborinane, 4,6-dimethyl-2-(1-methylethyl)-. With a topological polar surface area (TPSA) of 34.5 Ų, 1,3,2-Oxathiaborinane, 4,6-dimethyl-2-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Oxathiaborinane, 4,6-dimethyl-2-(1-methylethyl)- 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 1,3,2-Oxathiaborinane, 4,6-dimethyl-2-(1-methylethyl)- is 143674-23-1.
The molecular formula of 1,3,2-Oxathiaborinane, 4,6-dimethyl-2-(1-methylethyl)- is C8H17BOS.
The molecular weight of 1,3,2-Oxathiaborinane, 4,6-dimethyl-2-(1-methylethyl)- is 172.10931 g/mol.
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