1-(5-Bromo-2-Pyridinyl)-3-[2-(2-Fluorophenyl)Ethyl]Thiourea

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Properties Simple | Detailed

Formula C14H13BrFN3S
IUPAC Name 1-(5-bromo-2-pyridyl)-3-[2-(2-fluorophenyl)ethyl]thiourea
Molecular Mass 354.241 g·mol−1
Heat of Formation 104.6 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 353.23 Å 3
Surface Area 314.53 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-bromo-2-pyridyl)-1-[2-(2-fluorophenyl)ethyl]thiourea
  • 3-(5-bromopyridin-2-yl)-1-[2-(2-fluorophenyl)ethyl]thiourea
  • dde240
  • f-pbt
  • hi-240
  • n-[2-(2-fluorophenethyl)]-n'-[2-(5-bromopyridyl)]thiourea
InChIKey MIJLSRZJDIBHJU-UHFFFAOYSA-N
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Elements C F H N S Br