TL;DR: Thiourea, N-(2-benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)- (CAS 111044-10-1) is a chemical compound with molecular formula C20H14BrClN2OS and molecular weight 443.96988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-benzoyl-4-chlorophenyl)-3-(4-bromophenyl)thiourea
Also Known As: N-(2-Benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)thiourea, Thiourea, N-(2-benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)-, 1-(2-benzoyl-4-chlorophenyl)-3-(4-bromophenyl)thiourea
| Molecular Formula | C20H14BrClN2OS |
| Molecular Weight | 443.96988 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.96988 Da |
| Heavy Atoms | 26 |
| Complexity | 492.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=S)NC3=CC=C(C=C3)Br |
| InChIKey | YKWJWNCVZYWSCE-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that Thiourea, N-(2-benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiourea, N-(2-benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)-. Following Lipinski's Rule of Five, Thiourea, N-(2-benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiourea, N-(2-benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)- is 111044-10-1.
The molecular formula of Thiourea, N-(2-benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)- is C20H14BrClN2OS.
The molecular weight of Thiourea, N-(2-benzoyl-4-chlorophenyl)-N'-(4-bromophenyl)- is 443.96988 g/mol.
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