Basic information
- CAS
41287-39-2- Standard SMILES
COc1cc(OCCCCCNCCSS(=O)(=O)O)nc2ccccc12- InChIKey
WKNBBIOMXMDXFA-UHFFFAOYSA-N- Molecular formula
- C17H24N2O5S2
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.11266387
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(4-methoxy-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 4-methoxy-2-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
- English name
- Thiosulfuric acid hydrogen S-[2-[[5-[(4-methoxy-2-quinolinyl)oxy]pentyl]amino]ethyl] ester
- Molecular formula
- C17H24N2O5S2
- Molecular weight
- 400.51
Names & synonyms
BRN 1601199S-2-((5-(4-Methoxy-2-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfateEthanethiosulfuric acid, 2-(5-(4-methoxy-2-quinolyloxy)pentyl)amino-Thiosulfuric acid, S-(2-((5-(4-methoxy-2-quinolyloxy)pentyl)amino)ethyl) ester41287-39-2Ethanethiol, 2-(5-(4-methoxy-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)RefChem:340473s-[2-({5-[(4-methoxyquinolin-2-yl)oxy]pentyl}amino)ethyl] hydrogen sulfurothioateDTXSID70961573WKNBBIOMXMDXFA-UHFFFAOYSA-NEthanethiol, 2-(5-(4-methoxy-2-quinolyloxy)pentyl)amino-, hydrogen sulfateS-[2-((5-[(4-Methoxy-2-quinolinyl)oxy]pentyl)amino)ethyl] hydrogen thiosulfate #
Show more names
Thiosulfuric acid hydrogen S-[2-[[5-[(4-methoxy-2-quinolinyl)oxy]pentyl]amino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-[[5-[(4-methoxy-2-quinolinyl)oxy]pentyl]amino]ethyl] ester
Thiosulfuric acid S-2-[5-[[4-methoxy-2-quinolyl]oxy]pentyl]amino]ethyl ester
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- -4.41 · -4.41±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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