TL;DR: 2-(3-Hydroxy-2-pyridyl)-2-thiothiazoline (CAS 153334-55-5) is a chemical compound with molecular formula C8H8N2OS2 and molecular weight 212.00781 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyridin-3-ol
Also Known As: 2-Hptt, 2-(3-Hydroxy-2-pyridyl)-2-thiothiazoline, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyridin-3-ol, 3-Pyridinol,2-[(4,5-dihydro-2-thiazolyl)thio]-, 2-[(4,5-Dihydro-1,3-thiazol-2-yl)sulfanyl]pyridin-3-ol
| Molecular Formula | C8H8N2OS2 |
| Molecular Weight | 212.00781 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 96.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.00781 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | C1CSC(=N1)SC2=C(C=CC=N2)O |
| InChIKey | ZFQZPHRTXILRDA-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Hydroxy-2-pyridyl)-2-thiothiazoline. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Hydroxy-2-pyridyl)-2-thiothiazoline. Following Lipinski's Rule of Five, 2-(3-Hydroxy-2-pyridyl)-2-thiothiazoline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3-Hydroxy-2-pyridyl)-2-thiothiazoline is 153334-55-5.
The molecular formula of 2-(3-Hydroxy-2-pyridyl)-2-thiothiazoline is C8H8N2OS2.
The molecular weight of 2-(3-Hydroxy-2-pyridyl)-2-thiothiazoline is 212.00781 g/mol.
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