2-[4-(1,3-Benzodioxol-5-Ylmethyl)-1-Piperazinyl]-1,3-Benzothiazole

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Properties Simple | Detailed

Formula C19H19N3O2S
IUPAC Name 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
Molecular Mass 353.438 g·mol−1
Heat of Formation 90.8 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 403.67 Å 3
Surface Area 358.41 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-(4-piperonyl)piperazinyl)benzothiazole
  • 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)benzothiazole
  • 2-ppbt
  • benzothiazole, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-
  • biomol-nt_000145
  • bpbio1_000397
  • oprea1_123424
  • oprea1_318218
  • vb 20b7
CAS Number(s)
  • 155106-73-3
InChIKey BYHKGNWKJMGHGE-UHFFFAOYSA-N
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