TL;DR: 3-Thiazoline, 2,2,5-triethyl- (CAS 101498-00-4) is a chemical compound with molecular formula C9H17NS and molecular weight 171.10817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,5-triethyl-5H-1,3-thiazole
Also Known As: 2,2,5-Triethyl-3-thiazoline, 3-Thiazoline, 2,2,5-triethyl-, 2,2,5-triethyl-2,5-dihydro-thiazole, Thiazole, 2,2,5-triethyl-2,5-dihydro-, 2,2,5-triethyl-5H-1,3-thiazole
| Molecular Formula | C9H17NS |
| Molecular Weight | 171.10817 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.10817 Da |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
| SMILES | CCC1C=NC(S1)(CC)CC |
| InChIKey | XDKQRSMUECEDPF-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiazoline, 2,2,5-triethyl-. With a topological polar surface area (TPSA) of 37.7 Ų, 3-Thiazoline, 2,2,5-triethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiazoline, 2,2,5-triethyl- 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 3-Thiazoline, 2,2,5-triethyl- is 101498-00-4.
The molecular formula of 3-Thiazoline, 2,2,5-triethyl- is C9H17NS.
The molecular weight of 3-Thiazoline, 2,2,5-triethyl- is 171.10817 g/mol.
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