![N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide structure](/static/products/851/851206-79-6.png)
N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide
TL;DR: N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide (CAS 851206-79-6) is a chemical compound with molecular formula C14H18F3N3O2S2 and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide
Also Known As: N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide, N-ethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide
| Molecular Formula | C14H18F3N3O2S2 |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 1.9061 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.07925 |
| Heavy Atoms | 24 |
| Complexity | 699.46136 |
Chemical Identifiers
| CAS Number | 851206-79-6 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F |
Product Overview
N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide (CAS 851206-79-6), with molecular formula C14H18F3N3O2S2 and molecular weight 381.08 g/mol. IUPAC: N-ethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide.
Chemical Property Profile of N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide
Property Insights of N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide
The XLogP value of 1.9061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 52.65 Ų, N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]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
Frequently Asked Questions
What is the CAS number of N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide?
The CAS number of N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide is 851206-79-6.
What is the molecular formula of N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide?
The molecular formula of N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide is C14H18F3N3O2S2.
What is the molecular weight of N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide?
The molecular weight of N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide is 381.08 g/mol.
Where can I buy N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide?
You can request a quote for N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]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 N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.