N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide
TL;DR: N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide (CAS 1024126-83-7) is a chemical compound with molecular formula C15H22FN3S and molecular weight 295.15186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide
Also Known As: N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide, ((TERT-BUTYL)AMINO)(4-(2-FLUOROPHENYL)PIPERAZINYL)METHANE-1-THIONE, 4-(2-fluorophenyl)-N-tert-butyl-piperazine-1-carbothioamide
Technical Specifications
| Molecular Formula | C15H22FN3S |
| Molecular Weight | 295.15186 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.15186 Da |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
| SMILES | CC(C)(C)NC(=S)N1CCN(CC1)C2=CC=CC=C2F |
| InChIKey | NAIRJQHLQAJQBH-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide
Property Insights of N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 50.6 Ų, N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide?
The CAS number of N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide is 1024126-83-7.
What is the molecular formula of N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide?
The molecular formula of N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide is C15H22FN3S.
What is the molecular weight of N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide?
The molecular weight of N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide is 295.15186 g/mol.
Where can I buy N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide?
You can request a quote for N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-4-(2-fluorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.