TL;DR: 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide (CAS 16311-69-6) is a chemical compound with molecular formula C7H12INOS and molecular weight 284.96844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol iodide
Also Known As: 5-(2-Hydroxyethyl)-3,4-dimethylthiazol-3-ium iodide, 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide, 5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide, EINECS 240-394-3, LABOTEST-BB LT00847288
| Molecular Formula | C7H12INOS |
| Molecular Weight | 284.96844 g/mol |
| XLogP | -2.58018 |
| Topological Polar Surface Area (TPSA) | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.96844 Da |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
| SMILES | CC1=C(SC=[N+]1C)CCO.[I-] |
| InChIKey | GDNOYVMHHMSZJV-UHFFFAOYSA-M |
The XLogP value of -2.58018 indicates that 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.4 Ų, 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide has 1 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 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide is 16311-69-6.
The molecular formula of 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide is C7H12INOS.
The molecular weight of 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide is 284.96844 g/mol.
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