Ethanethiol, 2-(3-(4-propyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
41287-38-1- Standard SMILES
CCCc1cc(OCCCNCCSS(=O)(=O)O)nc2ccccc12- InChIKey
UCIDKFGCIPMMOX-UHFFFAOYSA-N- Molecular formula
- C17H24N2O4S2
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.1177496
Names & identifiers
- Preferred name
- Ethanethiol, 2-(3-(4-propyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 4-propyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline
- English name
- Thiosulfuric acid hydrogen S-[2-[[3-[(4-propyl-2-quinolinyl)oxy]propyl]amino]ethyl] ester
- Molecular formula
- C17H24N2O4S2
- Molecular weight
- 384.51
Names & synonyms
BRN 166141341287-38-1S-2-((3-(4-Propyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfateEthanethiol, 2-(3-(4-propyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)DTXSID30194209Ethanethiosulfuric acid, 2-(3-(4-propyl-2-quinolyloxy)propyl)amino-Thiosulfuric acid, S-(2-((3-(4-propyl-2-quinolyloxy)propyl)amino)ethyl) esterRefChem:340381DTXCID90116700s-[2-({3-[(4-propylquinolin-2-yl)oxy]propyl}amino)ethyl] hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-[[3-[(4-propyl-2-quinolinyl)oxy]propyl]amino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-[[3-[(4-propyl-2-quinolinyl)oxy]propyl]amino]ethyl] ester
Database identifiers
- CAS
41287-38-1- PubChem CID
- 218778
- DTXSID
DTXSID30194209- Nikkaji
- J49.795I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Density
- 1.292 · 1.292±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
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