Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-
TL;DR: Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)- (CAS 1223-42-3) 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.
4-(phenylcarbamothioylamino)benzoic acid
Also Known As: 4-(3-phenylthioureido)benzoic acid, 4-[(phenylcarbamothioyl)amino]benzoic acid, 4-(phenylcarbamothioylamino)benzoic acid, Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-, p-(3-phenylthioureido)benzoic acid
| Molecular Formula | C14H12N2O2S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06195 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 1223-42-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | YZKFAIKNFGGKER-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)- (CAS 1223-42-3), with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol. IUPAC: 4-(phenylcarbamothioylamino)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-
Property Insights of Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)- has 3 hydrogen bond donor(s) and 3 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 Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
The CAS number of Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)- is 1223-42-3.
What is the molecular formula of Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
The molecular formula of Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)- is C14H12N2O2S.
What is the molecular weight of Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
The molecular weight of Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)- is 272.06 g/mol.
Where can I buy Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
You can request a quote for Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(((phenylamino)thioxomethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.