1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea
TL;DR: 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea (CAS 1023589-34-5) is a chemical compound with molecular formula C16H9ClF6N2OS and molecular weight 426.00284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-chlorobenzamide
Also Known As: 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-(4-CHLOROBENZOYL)THIOUREA, 3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorobenzoyl)thiourea, N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-chlorobenzamide, N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-chloro-benzamide, N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-4-chloro-benzamide
Technical Specifications
| Molecular Formula | C16H9ClF6N2OS |
| Molecular Weight | 426.00284 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.00284 Da |
| Heavy Atoms | 27 |
| Complexity | 526.0 |
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl |
| InChIKey | MCKTXDVMKJMWKM-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea
Property Insights of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea
The XLogP value of 5.9 indicates that 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)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-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea. Following Lipinski's Rule of Five, 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea?
The CAS number of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea is 1023589-34-5.
What is the molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea?
The molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea is C16H9ClF6N2OS.
What is the molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea?
The molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea is 426.00284 g/mol.
Where can I buy 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea?
You can request a quote for 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-chlorobenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.