![4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide structure](/static/products/1477/147751-92-6.webp)
4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
TL;DR: 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 147751-92-6) is a chemical compound with molecular formula C13H16F3N3S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
| Molecular Formula | C13H16F3N3S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 2.6496 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.1017 |
| Heavy Atoms | 20 |
| Complexity | 481.99487 |
Chemical Identifiers
| CAS Number | 147751-92-6 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 147751-92-6), with molecular formula C13H16F3N3S and molecular weight 303.10 g/mol. IUPAC: 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Property Insights of 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 2.6496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The CAS number of 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 147751-92-6.
What is the molecular formula of 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is C13H16F3N3S.
What is the molecular weight of 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 303.10 g/mol.
Where can I buy 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.