![4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide structure](/static/products/1024/1024224-87-0.webp)
4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide
TL;DR: 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide (CAS 1024224-87-0) is a chemical compound with molecular formula C13H16F3N3OS and molecular weight 319.09662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide
Also Known As: 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide, 1-(4-METHYLPIPERAZINYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA, C13H16F3N3OS
Technical Specifications
| Molecular Formula | C13H16F3N3OS |
| Molecular Weight | 319.09662 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.09662 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F |
| InChIKey | VKNASYLMOWQEAX-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide
Property Insights of 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 59.8 Ų, 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide?
The CAS number of 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide is 1024224-87-0.
What is the molecular formula of 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide?
The molecular formula of 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide is C13H16F3N3OS.
What is the molecular weight of 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide?
The molecular weight of 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide is 319.09662 g/mol.
Where can I buy 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide?
You can request a quote for 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.