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Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate
TL;DR: Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate (CAS 23822-57-3) is a chemical compound with molecular formula C11H11F3N2O2S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[3-(trifluoromethyl)phenyl]carbamothioyl]carbamate
Also Known As: ethyl N-[[3-(trifluoromethyl)phenyl]carbamothioyl]carbamate, ETHYL N-{[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOTHIOYL}CARBAMATE, AF-399/40960374, ethyl [3-(trifluoromethyl)anilino]carbothioylcarbamate, N-(3-trifluoromethylphenyl)-N'-ethoxycarbonylthiourea
| Molecular Formula | C11H11F3N2O2S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 3.1483 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.04935 |
| Heavy Atoms | 19 |
| Complexity | 477.25327 |
Chemical Identifiers
| CAS Number | 23822-57-3 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate (CAS 23822-57-3), with molecular formula C11H11F3N2O2S and molecular weight 292.05 g/mol. IUPAC: ethyl N-[[3-(trifluoromethyl)phenyl]carbamothioyl]carbamate.
Chemical Property Profile of Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate
Property Insights of Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate
The XLogP value of 3.1483 indicates that Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate 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 N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate?
The CAS number of Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate is 23822-57-3.
What is the molecular formula of Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate?
The molecular formula of Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate is C11H11F3N2O2S.
What is the molecular weight of Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate?
The molecular weight of Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate is 292.05 g/mol.
Where can I buy Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate?
You can request a quote for Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-{[3-(trifluoromethyl)phenyl]carbamothioyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.