2-((Aminothioxomethyl)amino)benzoic acid
TL;DR: 2-((Aminothioxomethyl)amino)benzoic acid (CAS 33942-49-3) is a chemical compound with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carbamothioylamino)benzoic acid
Also Known As: 2-Thioureidobenzoic acid, 2-(carbamothioylamino)benzoic acid, (o-Carboxyphenyl)thiourea, thioureidobenzoic acid, Benzoic acid, o-thioureido-
| Molecular Formula | C8H8N2O2S |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 1.0403 |
| Topological Polar Surface Area | 75.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.03065 |
| Heavy Atoms | 13 |
| Complexity | 351.7522 |
Chemical Identifiers
| CAS Number | 33942-49-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=S)N |
Product Overview
2-((Aminothioxomethyl)amino)benzoic acid (CAS 33942-49-3), with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol. IUPAC: 2-(carbamothioylamino)benzoic acid.
Chemical Property Profile of 2-((Aminothioxomethyl)amino)benzoic acid
Property Insights of 2-((Aminothioxomethyl)amino)benzoic acid
The XLogP value of 1.0403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Aminothioxomethyl)amino)benzoic acid. The TPSA of 75.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Aminothioxomethyl)amino)benzoic acid. Following Lipinski's Rule of Five, 2-((Aminothioxomethyl)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 2-((Aminothioxomethyl)amino)benzoic acid?
The CAS number of 2-((Aminothioxomethyl)amino)benzoic acid is 33942-49-3.
What is the molecular formula of 2-((Aminothioxomethyl)amino)benzoic acid?
The molecular formula of 2-((Aminothioxomethyl)amino)benzoic acid is C8H8N2O2S.
What is the molecular weight of 2-((Aminothioxomethyl)amino)benzoic acid?
The molecular weight of 2-((Aminothioxomethyl)amino)benzoic acid is 196.03 g/mol.
Where can I buy 2-((Aminothioxomethyl)amino)benzoic acid?
You can request a quote for 2-((Aminothioxomethyl)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 2-((Aminothioxomethyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((Aminothioxomethyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.