Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-
TL;DR: Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)- (CAS 111044-13-4) is a chemical compound with molecular formula C20H14BrN3O3S and molecular weight 454.99393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-benzoyl-4-nitrophenyl)-3-(4-bromophenyl)thiourea
Also Known As: N-(2-Benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)thiourea, Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-, 1-(2-benzoyl-4-nitrophenyl)-3-(4-bromophenyl)thiourea
Technical Specifications
| Molecular Formula | C20H14BrN3O3S |
| Molecular Weight | 454.99393 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.99393 Da |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=S)NC3=CC=C(C=C3)Br |
| InChIKey | QHVKTRHQKRBFJB-UHFFFAOYSA-N |
Chemical Property Profile of Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-
Property Insights of Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-
The XLogP value of 5.5 indicates that Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-. Following Lipinski's Rule of Five, Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-?
The CAS number of Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)- is 111044-13-4.
What is the molecular formula of Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-?
The molecular formula of Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)- is C20H14BrN3O3S.
What is the molecular weight of Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-?
The molecular weight of Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)- is 454.99393 g/mol.
Where can I buy Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-?
You can request a quote for Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-?
Yes, CoreyChem provides custom synthesis services for Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.