N'-(5-Bromo-2-Pyridyl)-N-(2-(2,5-Dimethoxyphenyl)Ethyl)Thiourea

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Properties Simple | Detailed

Formula C16H18BrN3O2S
IUPAC Name 1-(5-bromo-2-pyridyl)-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
Molecular Mass 396.302 g·mol−1
Heat of Formation -53.4 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 414.45 Å 3
Surface Area 323.96 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-bromo-2-pyridyl)-1-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
  • 3-(5-bromopyridin-2-yl)-1-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
  • d-pbt
  • dde236
  • hi-236
  • n-[2-(2,5-dimethoxyphenethyl)]-n'-[2-(5-bromopyridyl)]-thiourea
InChIKey GNLVRKKIIIVZHZ-UHFFFAOYSA-N
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Elements C H O N S Br