TL;DR: Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide (CAS 73825-56-6) is a chemical compound with molecular formula C11H23NO2S and molecular weight 233.14494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazolidine 1,1-dioxide
Also Known As: ISOTHIAZOLIDINE, 2-(2,4,4-TRIMETHYL-2-PENTYL)-, 1,1-DIOXIDE, 2-(2,4,4-Trimethyl-2-pentyl)isothiazolidine-1,1-dioxide, 2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazolidine 1,1-dioxide, Isothiazolidine, 2-(1,1,3,3-tetramethylbutyl)-, 1,1-dioxide, 2-(2,4,4-Trimethylpentan-2-yl)-1lambda~6~,2-thiazolidine-1,1-dione
| Molecular Formula | C11H23NO2S |
| Molecular Weight | 233.14494 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.14494 Da |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
| SMILES | CC(C)(C)CC(C)(C)N1CCCS1(=O)=O |
| InChIKey | CJCQNFYONFORTN-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide. With a topological polar surface area (TPSA) of 45.8 Ų, Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide 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 Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide is 73825-56-6.
The molecular formula of Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide is C11H23NO2S.
The molecular weight of Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide is 233.14494 g/mol.
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