Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
TL;DR: Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester (CAS 111044-15-6) is a chemical compound with molecular formula C20H13BrN2O4S and molecular weight 455.97794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2-benzoyl-4-nitrophenyl)-4-bromophenyl]carbamothioic S-acid
Also Known As: O-(2-Benzoyl-4-nitrophenyl) (4-bromophenyl)carbamothioate, Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester, [2-(2-benzoyl-4-nitrophenyl)-4-bromophenyl]carbamothioic S-acid, (2'-Benzoyl-5-bromo-4'-nitro[1,1'-biphenyl]-2-yl)carbamothioic S-acid
Technical Specifications
| Molecular Formula | C20H13BrN2O4S |
| Molecular Weight | 455.97794 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 93.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.97794 Da |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C3=C(C=CC(=C3)Br)NC(=O)S |
| InChIKey | WXFIJTHWHCQBEI-UHFFFAOYSA-N |
Chemical Property Profile of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
Property Insights of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
The XLogP value of 5.2 indicates that Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester. Following Lipinski's Rule of Five, Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The CAS number of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is 111044-15-6.
What is the molecular formula of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The molecular formula of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is C20H13BrN2O4S.
What is the molecular weight of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The molecular weight of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is 455.97794 g/mol.
Where can I buy Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
You can request a quote for Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
Yes, CoreyChem provides custom synthesis services for Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.