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

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Properties Simple | Detailed

Formula C14H11NO2S
IUPAC Name (6e)-6-(1,3-benzothiazol-2-ylidene)-2-methoxy-cyclohexa-2,4-dien-1-one
Molecular Mass 257.308 g·mol−1
Heat of Formation -27.2 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 284.62 Å 3
Surface Area 267.74 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry Cs
Synonyms
  • (6e)-6-(3h-1,3-benzothiazol-2-ylidene)-2-methoxy-1-cyclohexa-2,4-dienone
  • (6e)-6-(3h-1,3-benzothiazol-2-ylidene)-2-methoxy-cyclohexa-2,4-dien-1-one
  • 2-(2'-hydroxy-3'-methoxyphenyl)benzothiazole
  • 2-benzothiazol-2-yl-6-methoxy-phenol
  • 6-(3h-1,3-benzothiazol-2-ylidene)-2-methoxy-1-cyclohexa-2,4-dienone
  • 6-(3h-1,3-benzothiazol-2-ylidene)-2-methoxy-cyclohexa-2,4-dien-1-one
  • 6-(3h-1,3-benzothiazol-2-ylidene)-2-methoxycyclohexa-2,4-dien-1-one
  • bas 06998704
  • phenol, 2-(2-benzothiazolyl)-6-methoxy-
CAS Number(s)
  • 6265-93-6
InChIKey OLXFZPMDBHEECI-NTEUORMPSA-N
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