![1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea structure](/static/products/1005/1005110-77-9.webp)
1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea (CAS 1005110-77-9) is a chemical compound with molecular formula C17H21F3N2S and molecular weight 342.13776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
Also Known As: 1-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea, [(bicyclo[2.2.1]hept-2-ylethyl)amino]{[2-(trifluoromethyl)phenyl]amino}methane -1-thione, 1-[1-(bicyclo[2.2.1]hept-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea, N-(1-bicyclo[2.2.1]hept-2-ylethyl)-N'-[2-(trifluoromethyl)phenyl]thiourea
Technical Specifications
| Molecular Formula | C17H21F3N2S |
| Molecular Weight | 342.13776 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.13776 Da |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
| SMILES | CC(C1CC2CCC1C2)NC(=S)NC3=CC=CC=C3C(F)(F)F |
| InChIKey | LEQQCEPSIRJURM-UHFFFAOYSA-N |
Chemical Property Profile of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
The XLogP value of 5.1 indicates that 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea is 1005110-77-9.
What is the molecular formula of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea is C17H21F3N2S.
What is the molecular weight of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea is 342.13776 g/mol.
Where can I buy 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea?
Yes, CoreyChem provides custom synthesis services for 1-[1-(3-Bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.