5-Chloro-3-[2-Oxo-2-(1-Piperazinyl)Ethyl]-1,3-Benzothiazol-2(3H)-One

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Properties Simple | Detailed

Formula C13H14ClN3O2S
IUPAC Name 5-chloro-3-(2-oxo-2-piperazin-1-yl-ethyl)-1,3-benzothiazol-2-one
Molecular Mass 311.787 g·mol−1
Heat of Formation -212.7 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 344.52 Å 3
Surface Area 293.62 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((5-chloro-2-oxo-3(2h)-benzothiazolyl)acetyl)piperazine
  • 3-(1-piperazinyl)carbonylmethyl-5-chloro-2-benzothiazolinone
  • 5-chloro-3-(2-keto-2-piperazin-1-yl-ethyl)-1,3-benzothiazol-2-one
  • 5-chloro-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one
  • 5-chloro-3-[2-oxo-2-(1-piperazinyl)ethyl]-1,3-benzothiazol-2-one
  • piperazine, 1-((5-chloro-2-oxo-3(2h)-benzothiazolyl)acetyl)-
  • piperazine, 1-((5-chloro-2-oxo-3-benzothiazolinyl)acetyl)- (8ci)
  • rhc 3281
CAS Number(s)
  • 33353-30-9
InChIKey RPRUIZPTDDIOHH-UHFFFAOYSA-N
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Elements C Cl H O N S