Ethanethiol, 2-(3-(6-chloro-4-methyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
41287-24-5- Standard SMILES
Cc1cc(OCCCNCCSS(=O)(=O)O)nc2ccc(Cl)cc12- InChIKey
UIYBGSIWFJRRAZ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O4S2
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.04747677
Names & identifiers
- Preferred name
- Ethanethiol, 2-(3-(6-chloro-4-methyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 6-chloro-4-methyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline
- English name
- Thiosulfuric acid hydrogen S-[2-[[3-[(6-chloro-4-methyl-2-quinolyl)oxy]propyl]amino]ethyl] ester
- Molecular formula
- C15H19ClN2O4S2
- Molecular weight
- 390.91
Names & synonyms
BRN 1690530Ethanethiol, 2-(3-(6-chloro-4-methyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)41287-24-5DTXSID90194205Ethanethiosulfuric acid, 2-(3-(6-chloro-4-methyl-2-quinolyloxy)propyl)amino-S-2-((3-(6-Chloro-4-methyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfateThiosulfuric acid, S-(2-((3-(6-chloro-4-methyl-2-quinolyloxy)propyl)amino)ethyl) esterRefChem:340386DTXCID60116696s-[2-({3-[(6-chloro-4-methylquinolin-2-yl)oxy]propyl}amino)ethyl] hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-[[3-[(6-chloro-4-methyl-2-quinolyl)oxy]propyl]amino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-[[3-[(6-chloro-4-methyl-2-quinolinyl)oxy]propyl]amino]ethyl] ester
Database identifiers
- CAS
41287-24-5- PubChem CID
- 218764
- DTXSID
DTXSID90194205- Nikkaji
- J49.717G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Density
- 1.414 · 1.414±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…