Ethyl 3-(carbamothioylamino)benzoate
TL;DR: Ethyl 3-(carbamothioylamino)benzoate (CAS 209679-18-5) 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.
ethyl 3-(carbamothioylamino)benzoate
Also Known As: 1-(3-Ethoxycarbonylphenyl)-2-thiourea, Ethyl 3-thioureidobenzoate, ethyl 3-(carbamothioylamino)benzoate, Ethyl3-thioureidobenzoate, 1- -2-THIOUREA
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.5188 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 379.44006 |
Chemical Identifiers
| CAS Number | 209679-18-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=S)N |
Product Overview
Ethyl 3-(carbamothioylamino)benzoate (CAS 209679-18-5), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: ethyl 3-(carbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 3-(carbamothioylamino)benzoate
Property Insights of Ethyl 3-(carbamothioylamino)benzoate
The XLogP value of 1.5188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(carbamothioylamino)benzoate. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(carbamothioylamino)benzoate. Following Lipinski's Rule of Five, Ethyl 3-(carbamothioylamino)benzoate has 2 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 Ethyl 3-(carbamothioylamino)benzoate?
The CAS number of Ethyl 3-(carbamothioylamino)benzoate is 209679-18-5.
What is the molecular formula of Ethyl 3-(carbamothioylamino)benzoate?
The molecular formula of Ethyl 3-(carbamothioylamino)benzoate is C10H12N2O2S.
What is the molecular weight of Ethyl 3-(carbamothioylamino)benzoate?
The molecular weight of Ethyl 3-(carbamothioylamino)benzoate is 224.06 g/mol.
Where can I buy Ethyl 3-(carbamothioylamino)benzoate?
You can request a quote for Ethyl 3-(carbamothioylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(carbamothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(carbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.