TL;DR: 3-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride (+-)- (CAS 102367-31-7) is a chemical compound with molecular formula C17H18ClNO2S and molecular weight 335.07468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[hydroxy(diphenyl)methyl]morpholine-3-thione;hydrochloride
Also Known As: (+)-alpha-(3-Thiamorpholinyl)-benzhydrol hydrochloride, (+-)-alpha-(3-Thiamorpholinyl)-benzhydrol hydrochloride, (+)-alpha,alpha-Diphenyl-3-thiomorpholinemethanol hydrochloride, 3-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride, 3-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride (+-)-
| Molecular Formula | C17H18ClNO2S |
| Molecular Weight | 335.07468 g/mol |
| XLogP | 2.6601 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.07468 Da |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
| SMILES | C1COC(C(=S)N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl |
| InChIKey | UKTDALXJXRANJJ-UHFFFAOYSA-N |
The XLogP value of 2.6601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride (+-)-. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride (+-)-. Following Lipinski's Rule of Five, 3-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride (+-)- has 3 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-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride (+-)- is 102367-31-7.
The molecular formula of 3-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride (+-)- is C17H18ClNO2S.
The molecular weight of 3-Thiomorpholinemethanol, alpha,alpha-diphenyl-, hydrochloride (+-)- is 335.07468 g/mol.
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