m-(3-Ethyl-2-thioureido)benzoic acid
TL;DR: m-(3-Ethyl-2-thioureido)benzoic acid (CAS 19384-17-9) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(ethylcarbamothioylamino)benzoic acid
Also Known As: m-(3-Ethyl-2-thioureido)benzoic acid, m-(3-Ethylthioureido)benzoic acid, 3-(3-Ethylthioureido)benzoic acid, 3-(ethylcarbamothioylamino)benzoic acid, J1.392.699I
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.6911 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 379.44006 |
Chemical Identifiers
| CAS Number | 19384-17-9 |
|---|---|
| SMILES | CCNC(=S)NC1=CC=CC(=C1)C(=O)O |
Product Overview
m-(3-Ethyl-2-thioureido)benzoic acid (CAS 19384-17-9), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: 3-(ethylcarbamothioylamino)benzoic acid.
Chemical Property Profile of m-(3-Ethyl-2-thioureido)benzoic acid
Property Insights of m-(3-Ethyl-2-thioureido)benzoic acid
The XLogP value of 1.6911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-(3-Ethyl-2-thioureido)benzoic acid. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for m-(3-Ethyl-2-thioureido)benzoic acid. Following Lipinski's Rule of Five, m-(3-Ethyl-2-thioureido)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 m-(3-Ethyl-2-thioureido)benzoic acid?
The CAS number of m-(3-Ethyl-2-thioureido)benzoic acid is 19384-17-9.
What is the molecular formula of m-(3-Ethyl-2-thioureido)benzoic acid?
The molecular formula of m-(3-Ethyl-2-thioureido)benzoic acid is C10H12N2O2S.
What is the molecular weight of m-(3-Ethyl-2-thioureido)benzoic acid?
The molecular weight of m-(3-Ethyl-2-thioureido)benzoic acid is 224.06 g/mol.
Where can I buy m-(3-Ethyl-2-thioureido)benzoic acid?
You can request a quote for m-(3-Ethyl-2-thioureido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-(3-Ethyl-2-thioureido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for m-(3-Ethyl-2-thioureido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.