![1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea structure](/static/products/1171/117174-71-7.webp)
1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea (CAS 117174-71-7) is a chemical compound with molecular formula C15H11F3N2OS and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
Also Known As: 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea, N-((4-(Trifluoromethyl)phenyl)carbamothioyl)benzamide, N-[[4-(trifluoromethyl)phenyl]carbamothioyl]benzamide, N-{[4-(trifluoromethyl)phenyl]carbamothioyl}benzamide, N-benzoyl-N'-[4-(trifluoromethyl)phenyl]thiourea
| Molecular Formula | C15H11F3N2OS |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.0544 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 117174-71-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(F)(F)F |
| InChIKey | NCVFSEWBZJRTPZ-UHFFFAOYSA-N |
Product Overview
1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea (CAS 117174-71-7), with molecular formula C15H11F3N2OS and molecular weight 324.05 g/mol. IUPAC: N-[[4-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea
The XLogP value of 4.9 indicates that 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea. Following Lipinski's Rule of Five, 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea has 2 hydrogen bond donor(s) and 5 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-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea is 117174-71-7.
What is the molecular formula of 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea is C15H11F3N2OS.
What is the molecular weight of 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea is 324.05 g/mol.
Where can I buy 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-Benzoyl-3-[4-(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-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.