Basic information
- CAS
41287-33-6- Standard SMILES
COc1ccc2nc(OCCCNCCSS(=O)(=O)O)cc(C)c2c1- InChIKey
ODFFJVKYNZZQHO-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5S2
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.09701415
Names & identifiers
- Preferred name
- Ethanethiol, 2-(3-(6-methoxy-4-methyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 6-methoxy-4-methyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline
- English name
- Thiosulfuric acid hydrogen S-[2-[[3-[(6-methoxy-4-methyl-2-quinolinyl)oxy]propyl]amino]ethyl] ester
- Molecular formula
- C16H22N2O5S2
- Molecular weight
- 386.49
Names & synonyms
BRN 150516141287-33-6S-2-((3-(6-Methoxy-4-methyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfateEthanethiosulfuric acid, 2-(3-(6-methoxy-4-methyl-2-quinolyloxy)propyl)amino-Thiosulfuric acid, S-(2-((3-(6-methoxy-4-methyl-2-quinolyloxy)propyl)amino)ethyl) esterEthanethiol, 2-(3-(6-methoxy-4-methyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)RefChem:340387s-[2-({3-[(6-methoxy-4-methylquinolin-2-yl)oxy]propyl}amino)ethyl] hydrogen sulfurothioateDTXSID20961568ODFFJVKYNZZQHO-UHFFFAOYSA-NEthanethiol, 2-(3-(6-methoxy-4-methyl-2-quinolyloxy)propyl)amino-, hydrogen sulfateS-[2-((3-[(6-Methoxy-4-methyl-2-quinolinyl)oxy]propyl)amino)ethyl] hydrogen thiosulfate #
Show more names
Thiosulfuric acid hydrogen S-[2-[[3-[(6-methoxy-4-methyl-2-quinolinyl)oxy]propyl]amino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-[[3-[(6-methoxy-4-methyl-2-quinolinyl)oxy]propyl]amino]ethyl] ester
Thiosulfuric acid S-2-[[3-[6-methoxy-4-methyl-2-quinolyl]oxy]propyl]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
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- pka
- -4.42 · -4.42±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…