![S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate structure](/static/products/1752/175203-07-3.webp)
S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate
TL;DR: S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate (CAS 175203-07-3) is a chemical compound with molecular formula C16H18ClF3N2O3S2 and molecular weight 442.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methyl-λ4-sulfanylidene]azanium;2,4,6-trimethylbenzenesulfonate
Also Known As: S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate, [[5-chloro-3-(trifluoromethyl)pyridin-2-yl]-methyl-, 5-CHLORO-2-(METHYLSULFINOIMIDOYL)-3-(TRIFLUOROMETHYL)PYRIDINE 2,4,6-TRIMETHYLBENZENESULFONATE, s-[5-chloro-3-(trifluoromethyl)pyridin-2-yl]-s-methylsulphilimine 2,4,6-trimethylbenzenesulphonate, [[5-chloro-3-(trifluoromethyl)pyridin-2-yl]-methyl-lambda4-sulfanylidene]azanium;2,4,6-trimethylbenzenesulfonate
| Molecular Formula | C16H18ClF3N2O3S2 |
|---|---|
| Molecular Weight | 442.04 g/mol |
| LogP | 2.81946 |
| Topological Polar Surface Area | 95.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.03995 |
| Heavy Atoms | 27 |
| Complexity | 954.35626 |
Chemical Identifiers
| CAS Number | 175203-07-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CS(=[NH2+])C1=C(C=C(C=N1)Cl)C(F)(F)F |
Product Overview
S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate (CAS 175203-07-3), with molecular formula C16H18ClF3N2O3S2 and molecular weight 442.04 g/mol. IUPAC: [[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methyl-λ4-sulfanylidene]azanium;2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate
Property Insights of S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate
The XLogP value of 2.81946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate. The TPSA of 95.68 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate. Following Lipinski's Rule of Five, S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate has 1 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 S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate?
The CAS number of S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate is 175203-07-3.
What is the molecular formula of S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate?
The molecular formula of S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate is C16H18ClF3N2O3S2.
What is the molecular weight of S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate?
The molecular weight of S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate is 442.04 g/mol.
Where can I buy S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate?
You can request a quote for S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for S-[5-Chloro-3-(trifluoromethyl)pyrid-2-yl]-S-methylsulfilimine 2,4,6-trimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.