Ethanethiol, 2-(2-(6-methoxy-4-methyl-2-quinolyloxy)ethyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
41287-27-8- Standard SMILES
COc1ccc2nc(OCCNCCSS(=O)(=O)O)cc(C)c2c1- InChIKey
SEKQJFKGECWXEL-UHFFFAOYSA-N- Molecular formula
- C15H20N2O5S2
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.08136374
Names & identifiers
- Preferred name
- Ethanethiol, 2-(2-(6-methoxy-4-methyl-2-quinolyloxy)ethyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 6-methoxy-4-methyl-2-[2-(2-sulfosulfanylethylamino)ethoxy]quinoline
- English name
- Thiosulfuric acid hydrogen S-[2-[[2-[(6-methoxy-4-methyl-2-quinolinyl)oxy]ethyl]amino]ethyl] ester
- Molecular formula
- C15H20N2O5S2
- Molecular weight
- 372.46
Names & synonyms
BRN 159869341287-27-8S-2-((2-(6-Methoxy-4-methyl-2-quinolyloxy)ethyl)amino)ethyl hydrogen thiosulfateEthanethiosulfuric acid, 2-(2-(6-methoxy-4-methyl-2-quinolyloxy)ethyl)amino-Ethanethiol, 2-(2-(6-methoxy-4-methyl-2-quinolyloxy)ethyl)amino-, hydrogen sulfate (ester)Thiosulfuric acid, S-(2-((2-(6-methoxy-4-methyl-2-quinolyloxy)ethyl)amino)ethyl) esterRefChem:340342s-[2-({2-[(6-methoxy-4-methylquinolin-2-yl)oxy]ethyl}amino)ethyl] hydrogen sulfurothioateDTXSID40961565Thiosulfuric acid hydrogen S-[2-[[2-[(6-methoxy-4-methyl-2-quinolinyl)oxy]ethyl]amino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-[[2-[(6-methoxy-4-methyl-2-quinolinyl)oxy]ethyl]amino]ethyl] ester
Database identifiers
- CAS
41287-27-8- PubChem CID
- 218767
- DTXSID
DTXSID40961565- Nikkaji
- J49.758D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- -4.43 · -4.43±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…