2-(Benzoylcarbamothioylamino)benzoic acid
TL;DR: 2-(Benzoylcarbamothioylamino)benzoic acid (CAS 13277-24-2) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzoylcarbamothioylamino)benzoic acid
Also Known As: 2-(benzoylcarbamothioylamino)benzoic acid, 2-(3-Benzoylthioureido)benzoic acid, 2-(benzoylthiocarbamoylamino)benzoic acid, 2-[(Benzoylcarbamothioyl)amino]benzoic acid, 2-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid
Technical Specifications
| Molecular Formula | C15H12N2O3S |
| Molecular Weight | 300.05685 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.05685 Da |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O |
| InChIKey | ZFFHSAGSCWUIBM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzoylcarbamothioylamino)benzoic acid
Property Insights of 2-(Benzoylcarbamothioylamino)benzoic acid
The XLogP value of 3.0 indicates that 2-(Benzoylcarbamothioylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzoylcarbamothioylamino)benzoic acid. Following Lipinski's Rule of Five, 2-(Benzoylcarbamothioylamino)benzoic acid has 3 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-(Benzoylcarbamothioylamino)benzoic acid?
The CAS number of 2-(Benzoylcarbamothioylamino)benzoic acid is 13277-24-2.
What is the molecular formula of 2-(Benzoylcarbamothioylamino)benzoic acid?
The molecular formula of 2-(Benzoylcarbamothioylamino)benzoic acid is C15H12N2O3S.
What is the molecular weight of 2-(Benzoylcarbamothioylamino)benzoic acid?
The molecular weight of 2-(Benzoylcarbamothioylamino)benzoic acid is 300.05685 g/mol.
Where can I buy 2-(Benzoylcarbamothioylamino)benzoic acid?
You can request a quote for 2-(Benzoylcarbamothioylamino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzoylcarbamothioylamino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Benzoylcarbamothioylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.