1-(4-Butoxyphenyl)-3-[4-(4-Methyl-1-Piperazinyl)Phenyl]Thiourea

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Properties Simple | Detailed

Formula C22H30N4OS
IUPAC Name 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea
Molecular Mass 398.565 g·mol−1
Heat of Formation 89.1 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 500.83 Å 3
Surface Area 451.18 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-butoxyphenyl)-1-[4-(4-methyl-1-piperazinyl)phenyl]thiourea
  • 3-(4-butoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]thiourea
  • 4-(4-methyl-1-piperazinyl)-4'-n-butoxythiocarbanilide
  • 4-(n-butoxy)-4'(4''-methylpiperazino-1'')thiocarbanilide
  • butomelide
  • carbanilide, 4-butoxy-4'-(4-methyl-1-piperazinyl)thio-
  • thiourea, n-(4-butoxyphenyl)-n'-(4-(4-methyl-1-piperazinyl)phenyl)-
CAS Number(s)
  • 34349-88-7
InChIKey VIZVINQUFCXMGH-UHFFFAOYSA-N
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