Ethanethiol, 2-(5-(6-chloro-4-methyl-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
41287-35-8- Standard SMILES
Cc1cc(OCCCCCNCCSS(=O)(=O)O)nc2ccc(Cl)cc12- InChIKey
HKIZCIYTMMHSCB-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O4S2
- Average molar mass
- 419 g/mol
- Monoisotopic mass
- 418.0787773
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(6-chloro-4-methyl-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 6-chloro-4-methyl-2-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
Names & synonyms
BRN 1663218S-2-((5-(6-Chloro-4-methyl-2-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfateEthanethiosulfuric acid, 2-(5-(6-chloro-4-methyl-2-quinolyloxy)pentyl)amino-Thiosulfuric acid, S-(2-((5-(6-chloro-4-methyl-2-quinolyloxy)pentyl)amino)ethyl) ester41287-35-8Ethanethiol, 2-(5-(6-chloro-4-methyl-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)RefChem:340489s-[2-({5-[(6-chloro-4-methylquinolin-2-yl)oxy]pentyl}amino)ethyl] hydrogen sulfurothioateDTXSID90961570HKIZCIYTMMHSCB-UHFFFAOYSA-NEthanethiol, 2-(5-(6-chloro-4-methyl-2-quinolyloxy)pentyl)amino-, hydrogen sulfateS-[2-((5-[(6-Chloro-4-methyl-2-quinolinyl)oxy]pentyl)amino)ethyl] hydrogen thiosulfate #
Show more names
Thiosulfuric acid S-2-[[5-[[6-chloro-4-methyl-2-quinolyl]oxy]pentyl]amino]ethyl ester
Database identifiers
- CAS
41287-35-8- PubChem CID
- 218775
- DTXSID
DTXSID90961570- Nikkaji
- J49.715K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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