Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester
TL;DR: Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester (CAS 17710-61-1) is a chemical compound with molecular formula C13H9ClN2O3S and molecular weight 308.00223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(4-chlorophenoxy)carbonylamino]phenyl]-oxo-sulfidoazanium
Also Known As: p-Chlorophenyl N-(p-nitrophenyl)thiocarbamate, p-Nitrothiocarbanilic acid O-(p-chlorophenyl) ester, CARBANILIC ACID, p-NITROTHIO-, O-(p-CHLOROPHENYL) ESTER, [4-[(4-chlorophenoxy)carbonylamino]phenyl]-oxo-sulfidoazanium, N-(4-Nitrophenyl)thiocarbamic acid O-(4-chlorophenyl) ester
Technical Specifications
| Molecular Formula | C13H9ClN2O3S |
| Molecular Weight | 308.00223 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.00223 Da |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
| SMILES | C1=CC(=CC=C1NC(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[S-] |
| InChIKey | UAVLTVQQUWUYGL-UHFFFAOYSA-N |
Chemical Property Profile of Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester
Property Insights of Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester
The XLogP value of 3.8 indicates that Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester has 1 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 Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester?
The CAS number of Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester is 17710-61-1.
What is the molecular formula of Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester?
The molecular formula of Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester is C13H9ClN2O3S.
What is the molecular weight of Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester?
The molecular weight of Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester is 308.00223 g/mol.
Where can I buy Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester?
You can request a quote for Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester?
Yes, CoreyChem provides custom synthesis services for Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.