TL;DR: 4,5-Imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride (CAS 132411-99-5) is a chemical compound with molecular formula C15H20ClN3O2S and molecular weight 341.09647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(diethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidine-4,5-dione;hydrochloride
Also Known As: 4,5-Imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride, 1-(2-(Diethylamino)ethyl)-3-phenyl-2-thioxo-4,5-imidazolidinedione monohydrochloride, 3-(beta-N,N-Diethylaminoethylene)-1-phenyl-2-thioxo-4,5-imidazolidinedione hydrochloride, 1-(2-diethylaminoethyl)-3-phenyl-2-sulfanylideneimidazolidine-4,5-dione hydrochloride, 1-[2-(Diethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidine-4,5-dione--hydrogen chloride (1/1)
| Molecular Formula | C15H20ClN3O2S |
| Molecular Weight | 341.09647 g/mol |
| XLogP | 1.9103 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.09647 Da |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
| SMILES | CCN(CC)CCN1C(=O)C(=O)N(C1=S)C2=CC=CC=C2.Cl |
| InChIKey | QSJQUICZOJMTOO-UHFFFAOYSA-N |
The XLogP value of 1.9103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride. Following Lipinski's Rule of Five, 4,5-Imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,5-Imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride is 132411-99-5.
The molecular formula of 4,5-Imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride is C15H20ClN3O2S.
The molecular weight of 4,5-Imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride is 341.09647 g/mol.
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