S-[2-({5-[(7-Chloro-4-Quinolinyl)Oxy]Pentyl}Amino)Ethyl] Hydrogen Sulfurothioate

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Properties Simple | Detailed

Formula C16H21ClN2O4S2
IUPAC Name 7-chloro-4-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
Molecular Mass 404.932 g·mol−1
Heat of Formation -543.8 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 451.86 Å 3
Surface Area 416.58 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 7-chloro-4-[5-[2-(sulfothio)ethylamino]pentoxy]quinoline
  • ethanethiosulfuric acid, 2-(5-(7-chloro-4-quinolyloxy)pentyl)amino-
  • s-2-((5-(7-chloro-4-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate
CAS Number(s)
  • 41287-43-8
InChIKey CKQHXOCXLJZGSX-UHFFFAOYSA-N
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