1-(5-Chloro-2-Pyridinyl)-3-[2-(4-Ethoxy-3-Fluoro-2-Pyridinyl)Ethyl]Thiourea

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Properties Simple | Detailed

Formula C15H16ClFN4OS
IUPAC Name 1-(5-chloropyridin-1-ium-5-id-2-yl)-3-[2-(4-ethoxy-5-fluoro-3h-pyridin-1-ium-3-id-6-yl)ethyl]thiourea
Molecular Mass 354.830 g·mol−1
Heat of Formation -100.4 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 395.92 Å 3
Surface Area 302.1 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-chloro-pyridin-2-yl)-3-[2-(4-ethoxy-3-fluoro-pyridin-2-yl)-ethyl]-thiourea
  • 3-(5-chloro-2-pyridyl)-1-[2-(4-ethoxy-3-fluoro-2-pyridyl)ethyl]thiourea
  • 3-(5-chloropyridin-2-yl)-1-[2-(4-ethoxy-3-fluoro-pyridin-2-yl)ethyl]thiourea
  • 3-(5-chloropyridin-2-yl)-1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]thiourea
  • n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-chloro-pyridyl]-thiourea
  • pett-2
InChIKey VEBKSFPYWMOUBR-UHFFFAOYSA-N
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