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

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Properties Simple | Detailed

Formula C13H9NOS
IUPAC Name (6e)-6-(1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one
Molecular Mass 227.282 g·mol−1
Heat of Formation 120.4 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 252.47 Å 3
Surface Area 239.28 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry Cs
Synonyms
  • (6e)-6-(3h-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,4-dienone
  • (6e)-6-(3h-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one
  • 2-(2-benzothiazolyl)phenol
  • 2-(2-hydroxyphenyl)benzothiazole
  • 2-(2-hydroxyphenyl)benzoxthiazole
  • 2-(o-hydroxyphenyl)benzothiazole
  • 2-benzothiazol-2-ylphenol
  • 6-(3h-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,4-dienone
  • 6-(3h-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one
  • o-(2-benzothiazolyl)phenol
  • phenol, 2-(2-benzothiazolyl)-
  • phenol, o-2-benzothiazolyl-
  • phenol, o-2-benzothiazolyl- (6ci,7ci,8ci)
CAS Number(s)
  • 3411-95-8
InChIKey NSDGEQWRYXOZLN-UKTHLTGXSA-N
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