![3-[(Phenylcarbamothioyl)amino]benzoic acid structure](/static/products/1223/1223-21-8.webp)
3-[(Phenylcarbamothioyl)amino]benzoic acid
TL;DR: 3-[(Phenylcarbamothioyl)amino]benzoic acid (CAS 1223-21-8) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenylcarbamothioylamino)benzoic acid
Also Known As: 3-(phenylcarbamothioylamino)benzoic acid, 3-[(phenylcarbamothioyl)amino]benzoic acid, 3-(phenylthiocarbamoylamino)benzoic Acid, Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]-, N-(3-Carboxyphenyl)-N'-phenyl-thioharnstoff
| Molecular Formula | C14H12N2O2S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 3.1937 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06195 |
| Heavy Atoms | 19 |
| Complexity | 599.4048 |
Chemical Identifiers
| CAS Number | 1223-21-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[(Phenylcarbamothioyl)amino]benzoic acid (CAS 1223-21-8), with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol. IUPAC: 3-(phenylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 3-[(Phenylcarbamothioyl)amino]benzoic acid
Property Insights of 3-[(Phenylcarbamothioyl)amino]benzoic acid
The XLogP value of 3.1937 indicates that 3-[(Phenylcarbamothioyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Phenylcarbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(Phenylcarbamothioyl)amino]benzoic acid has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(Phenylcarbamothioyl)amino]benzoic acid?
The CAS number of 3-[(Phenylcarbamothioyl)amino]benzoic acid is 1223-21-8.
What is the molecular formula of 3-[(Phenylcarbamothioyl)amino]benzoic acid?
The molecular formula of 3-[(Phenylcarbamothioyl)amino]benzoic acid is C14H12N2O2S.
What is the molecular weight of 3-[(Phenylcarbamothioyl)amino]benzoic acid?
The molecular weight of 3-[(Phenylcarbamothioyl)amino]benzoic acid is 272.06 g/mol.
Where can I buy 3-[(Phenylcarbamothioyl)amino]benzoic acid?
You can request a quote for 3-[(Phenylcarbamothioyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Phenylcarbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Phenylcarbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.