![2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate structure](/static/products/971/97186-47-5.png)
2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate
TL;DR: 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate (CAS 97186-47-5) is a chemical compound with molecular formula C12H7F3N2O3S and molecular weight 316.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidopyridin-1-ium
Also Known As: 2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate, 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidopyridin-1-ium, 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-oxo-1lambda~5~-pyridine, 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}pyridin-1-ium-1-olate
| Molecular Formula | C12H7F3N2O3S |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | 3.3982 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.01294 |
| Heavy Atoms | 21 |
| Complexity | 691.6881 |
Chemical Identifiers
| CAS Number | 97186-47-5 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[O-] |
Product Overview
2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate (CAS 97186-47-5), with molecular formula C12H7F3N2O3S and molecular weight 316.01 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate
Property Insights of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate
The XLogP value of 3.3982 indicates that 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate. Following Lipinski's Rule of Five, 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate has 0 hydrogen bond donor(s) and 4 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 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate?
The CAS number of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate is 97186-47-5.
What is the molecular formula of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate?
The molecular formula of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate is C12H7F3N2O3S.
What is the molecular weight of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate?
The molecular weight of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate is 316.01 g/mol.
Where can I buy 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate?
You can request a quote for 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}pyridinium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.