3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide
TL;DR: 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide (CAS 315239-69-1) is a chemical compound with molecular formula C11H10F3N3O6S and molecular weight 369.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,1-dioxothiolan-3-amine
Also Known As: 3-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide, F1472-0050, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,1-dioxothiolan-3-amine, 3-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}-1lambda6-thiolane-1,1-dione, 3-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}thiolane-1,1-dione
| Molecular Formula | C11H10F3N3O6S |
|---|---|
| Molecular Weight | 369.02 g/mol |
| LogP | 2.1208 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.02423 |
| Heavy Atoms | 24 |
| Complexity | 772.7075 |
Chemical Identifiers
| CAS Number | 315239-69-1 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide (CAS 315239-69-1), with molecular formula C11H10F3N3O6S and molecular weight 369.02 g/mol. IUPAC: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,1-dioxothiolan-3-amine.
Chemical Property Profile of 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide
Property Insights of 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide
The XLogP value of 2.1208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide has 1 hydrogen bond donor(s) and 7 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 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide?
The CAS number of 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide is 315239-69-1.
What is the molecular formula of 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide?
The molecular formula of 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide is C11H10F3N3O6S.
What is the molecular weight of 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide?
The molecular weight of 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide is 369.02 g/mol.
Where can I buy 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide?
You can request a quote for 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)tetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.