(6Z)-6-(1,3-Benzothiazol-2(3H)-Ylidene)-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C13H9NOS
IUPAC Name (6z)-6-(1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one
Molecular Mass 227.282 g·mol−1
Heat of Formation 138.0 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 247.61 Å 3
Surface Area 235.15 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry Cs
Synonyms
  • (6z)-6-(3h-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,4-dienone
  • (6z)-6-(3h-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one
  • cbdive_013931
  • fr-0836
InChIKey NSDGEQWRYXOZLN-LCYFTJDESA-N
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