![3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea structure](/static/products/4319/431979-52-1.webp)
3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea
TL;DR: 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea (CAS 431979-52-1) is a chemical compound with molecular formula C16H16F3N3O2S2 and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-sulfamoylphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: AB00118840-01, 3-[2-(4-sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea, 1-[2-(4-sulfamoylphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea, 4-{2-[3-(3-trifluoromethyl-phenyl)-thioureido]-ethyl}-benzenesulfonamide, 4-[2-({[3-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL}AMINO)ETHYL]-1-BENZENESULFONAMIDE
| Molecular Formula | C16H16F3N3O2S2 |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 2.8819 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0636 |
| Heavy Atoms | 26 |
| Complexity | 882.35815 |
Chemical Identifiers
| CAS Number | 431979-52-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(F)(F)F |
Product Overview
3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea (CAS 431979-52-1), with molecular formula C16H16F3N3O2S2 and molecular weight 403.06 g/mol. IUPAC: 1-[2-(4-sulfamoylphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea
Property Insights of 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 2.8819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea. Following Lipinski's Rule of Five, 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea 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
Frequently Asked Questions
What is the CAS number of 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea?
The CAS number of 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea is 431979-52-1.
What is the molecular formula of 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea is C16H16F3N3O2S2.
What is the molecular weight of 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea is 403.06 g/mol.
Where can I buy 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Sulfamoylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.