TL;DR: 5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one (CAS 110115-89-4) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(hydroxymethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: PTH-serine, PTH-DL-SERINE, Serine phenylthiohydantoin, 5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one, PHENYLTHIOHYDANTOIN SERINE
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.0463 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0463 Da |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CO |
| InChIKey | HRXXSWPUYDARQL-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, 5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one has 2 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 5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one is 110115-89-4.
The molecular formula of 5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one is C10H10N2O2S.
The molecular weight of 5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one is 222.0463 g/mol.
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