![2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide structure](/static/products/6429/642946-04-1.webp)
2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
TL;DR: 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide (CAS 642946-04-1) is a chemical compound with molecular formula C15H12BrN3O3S and molecular weight 392.97827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
Also Known As: 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide, 2-bromo-N-{[(2-methyl-3-nitrophenyl)amino]carbonothioyl}benzamide
Technical Specifications
| Molecular Formula | C15H12BrN3O3S |
| Molecular Weight | 392.97827 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.97827 Da |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2Br |
| InChIKey | YWDXBYRDDAREDS-UHFFFAOYSA-N |
Chemical Property Profile of 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
Property Insights of 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 4.4 indicates that 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide 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 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide is 642946-04-1.
What is the molecular formula of 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide is C15H12BrN3O3S.
What is the molecular weight of 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide is 392.97827 g/mol.
Where can I buy 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide?
Yes, CoreyChem provides custom synthesis services for 2-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.