![1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea structure](/static/products/1997/1997-00-8.webp)
1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 1997-00-8) is a chemical compound with molecular formula C14H10F4N2S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: 1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea, [(4-fluorophenyl)amino]{[3-(trifluoromethyl)phenyl]amino}methane-1-thione
| Molecular Formula | C14H10F4N2S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 4.6534 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.05008 |
| Heavy Atoms | 21 |
| Complexity | 638.1674 |
Chemical Identifiers
| CAS Number | 1997-00-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)F)C(F)(F)F |
Product Overview
1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 1997-00-8), with molecular formula C14H10F4N2S and molecular weight 314.05 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 4.6534 indicates that 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea has 2 hydrogen bond donor(s) and 1 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 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea is 1997-00-8.
What is the molecular formula of 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea is C14H10F4N2S.
What is the molecular weight of 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea is 314.05 g/mol.
Where can I buy 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-(4-Fluorophenyl)-3-[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 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.