(4Z)-2-Hydroxy-4-(Naphtho[1,2-D][1,3]Thiazol-2(1H)-Ylidene)-2,5-Cyclohexadien-1-One

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Formula C17H11NO2S
IUPAC Name (4z)-4-(1h-benzo[e][1,3]benzothiazol-2-ylidene)-2-hydroxy-cyclohexa-2,5-dien-1-one
Molecular Mass 293.340 g·mol−1
Heat of Formation 48.9 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 320.94 Å 3
Surface Area 295.53 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry Cs
Synonyms
  • (4z)-4-(1h-benzo[e][1,3]benzothiazol-2-ylidene)-2-hydroxy-1-cyclohexa-2,5-dienone
  • (4z)-4-(1h-benzo[e][1,3]benzothiazol-2-ylidene)-2-hydroxy-cyclohexa-2,5-dien-1-one
  • 1,2-benzenediol, 4-naphtho(1,2-d)thiazol-2-yl-, (3as-(3aalpha,4beta,6aalpha))-
  • 2-(3,4-dihydroxyphenyl)naphtho(1,2-d)thiazole
CAS Number(s)
  • 91874-98-5
InChIKey IRTSDEINKFGBIC-BOPFTXTBSA-N
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