![4-{[(Ethylamino)carbothioyl]amino}benzoic acid structure](/static/products/1586/15863-32-8.webp)
4-{[(Ethylamino)carbothioyl]amino}benzoic acid
TL;DR: 4-{[(Ethylamino)carbothioyl]amino}benzoic acid (CAS 15863-32-8) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(ethylcarbamothioylamino)benzoic acid
Also Known As: 4-{[(ethylamino)carbothioyl]amino}benzoic acid, 4-(ethylcarbamothioylamino)benzoic acid, p-(3-Ethylthioureido)benzoic acid, 4-(3-Ethylthioureido)benzoic acid, p-(3-Ethyl-2-thioureido)benzoic acid
Technical Specifications
| Molecular Formula | C10H12N2O2S |
| Molecular Weight | 224.06195 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06195 Da |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
| SMILES | CCNC(=S)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | MQTOJOFMYPZZOR-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[(Ethylamino)carbothioyl]amino}benzoic acid
Property Insights of 4-{[(Ethylamino)carbothioyl]amino}benzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(Ethylamino)carbothioyl]amino}benzoic acid. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Ethylamino)carbothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(Ethylamino)carbothioyl]amino}benzoic acid 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
What is the CAS number of 4-{[(Ethylamino)carbothioyl]amino}benzoic acid?
The CAS number of 4-{[(Ethylamino)carbothioyl]amino}benzoic acid is 15863-32-8.
What is the molecular formula of 4-{[(Ethylamino)carbothioyl]amino}benzoic acid?
The molecular formula of 4-{[(Ethylamino)carbothioyl]amino}benzoic acid is C10H12N2O2S.
What is the molecular weight of 4-{[(Ethylamino)carbothioyl]amino}benzoic acid?
The molecular weight of 4-{[(Ethylamino)carbothioyl]amino}benzoic acid is 224.06195 g/mol.
Where can I buy 4-{[(Ethylamino)carbothioyl]amino}benzoic acid?
You can request a quote for 4-{[(Ethylamino)carbothioyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(Ethylamino)carbothioyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-{[(Ethylamino)carbothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.