TL;DR: 5,5-Bis((((4-bromophenyl)methyl)thio)methyl)-2,4-imidazolidinedione (CAS 142979-81-5) is a chemical compound with molecular formula C19H18Br2N2O2S2 and molecular weight 527.91766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-bis[(4-bromophenyl)methylsulfanylmethyl]imidazolidine-2,4-dione
Also Known As: 5,5di-4BrBzSMe hydantoin, 5,5-Bis((((4-bromophenyl)methyl)thio)methyl)-2,4-imidazolidinedione, 2,4-Imidazolidinedione,5,5-bis[[[(4-bromophenyl)methyl]thio]methyl]-, 5,5-bis[(4-bromophenyl)methylsulfanylmethyl]imidazolidine-2,4-dione, 5,5-Bis({[(4-bromophenyl)methyl]sulfanyl}methyl)imidazolidine-2,4-dione
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H18Br2N2O2S2 |
| Molecular Weight | 527.91766 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.91766 Da |
| Heavy Atoms | 27 |
| Complexity | 494.0 |
| SMILES | C1=CC(=CC=C1CSCC2(C(=O)NC(=O)N2)CSCC3=CC=C(C=C3)Br)Br |
| InChIKey | QFZJFKJFEKSJPP-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 5,5-Bis((((4-bromophenyl)methyl)thio)methyl)-2,4-imidazolidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Bis((((4-bromophenyl)methyl)thio)methyl)-2,4-imidazolidinedione. Following Lipinski's Rule of Five, 5,5-Bis((((4-bromophenyl)methyl)thio)methyl)-2,4-imidazolidinedione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5,5-Bis((((4-bromophenyl)methyl)thio)methyl)-2,4-imidazolidinedione is 142979-81-5.
The molecular formula of 5,5-Bis((((4-bromophenyl)methyl)thio)methyl)-2,4-imidazolidinedione is C19H18Br2N2O2S2.
The molecular weight of 5,5-Bis((((4-bromophenyl)methyl)thio)methyl)-2,4-imidazolidinedione is 527.91766 g/mol.
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