![Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate structure](/static/products/3214/321433-76-5.webp)
Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate
TL;DR: Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate (CAS 321433-76-5) is a chemical compound with molecular formula C11H13ClN2O2S and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)carbamothioylamino]acetate
Also Known As: ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate, ethyl 2-{[(4-chlorophenyl)carbamothioyl]amino}acetate, ethyl 2-[(4-chlorophenyl)carbamothioylamino]acetate, Ethyl 2-{[(4-chloroanilino)carbothioyl]amino} acetate, 1K-030
| Molecular Formula | C11H13ClN2O2S |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 2.1895 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.03864 |
| Heavy Atoms | 17 |
| Complexity | 394.96283 |
Chemical Identifiers
| CAS Number | 321433-76-5 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate (CAS 321433-76-5), with molecular formula C11H13ClN2O2S and molecular weight 272.04 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)carbamothioylamino]acetate.
Chemical Property Profile of Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate
Property Insights of Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate
The XLogP value of 2.1895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate 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 2-{[(4-chloroanilino)carbothioyl]amino}acetate?
The CAS number of Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate is 321433-76-5.
What is the molecular formula of Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate?
The molecular formula of Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate is C11H13ClN2O2S.
What is the molecular weight of Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate?
The molecular weight of Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate is 272.04 g/mol.
Where can I buy Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate?
You can request a quote for Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.