AC1Q4JID
2-[5-(2-sulfosulfanylethylamino)pentoxy]-4-(trifluoromethyl)quinoline
Also Known As: S-2-((5-(4-Trifluoromethyl-2-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate|Ethanethiosulfuric acid, 2-(5-(4-(trifluoromethyl)-2-quinolyloxy)pentyl)amino-|Ethanethiol, 2-(5-(4-(trifluoromethyl)-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)|Thiosulfuric acid, S-(2-((5-(4-trifluoromethyl-2-quinolyloxy)pentyl)amino)ethyl) ester|s-{2-[(5-{[4-(trifluoromethyl)quinolin-2-yl]oxy}pentyl)amino]ethyl} hydrogen sulfurothioate|2-[5-(2-sulfosulfanylethylamino)pentoxy]-4-(trifluoromethyl)quinoline|Thiosulfuric acid hydrogen S-[2-[[5-[[4-(trifluoromethyl)-2-quinolinyl]oxy]pentyl]amino]ethyl] ester|({2-[(5-{[4-(trifluoromethyl)quinolin-2-yl]oxy}pentyl)amino]ethyl}sulfanyl)sulfonic acid|Thiosulfuric acid (H2S2O3), S-[2-[[5-[[4-(trifluoromethyl)-2-quinolinyl]oxy]pentyl]amino]ethyl] ester
| Molecular Formula | C17H21F3N2O4S2 |
|---|---|
| Molecular Weight | 438.08948 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 438.08948 |
| Monoisotopic Mass | 438.08948 |
| Heavy Atoms | 28 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 5375-22-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)OCCCCCNCCSS(=O)(=O)O)C(F)(F)F |
| InChIKey | RWWBYAZXVYCRQA-UHFFFAOYSA-N |
Product Overview
AC1Q4JID (CAS 5375-22-4), with molecular formula C17H21F3N2O4S2 and molecular weight 438.08948 g/mol. IUPAC: 2-[5-(2-sulfosulfanylethylamino)pentoxy]-4-(trifluoromethyl)quinoline.