2-(4-Methylphenyl)-1,3-Benzothiazol-4-Yl Acetate

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Properties Simple | Detailed

Formula C16H13NO2S
IUPAC Name [2-(p-tolyl)-1,3-benzothiazol-4-yl] acetate
Molecular Mass 283.345 g·mol−1
Heat of Formation -90.6 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 327.18 Å 3
Surface Area 299.11 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-methylphenyl)-4-benzothiazolol acetate (ester)
  • 4-acetoxy-2-(4-methylphenyl)benzothiazole
  • 4-benzothiazolol, 2-(4-methylphenyl)-, acetate (ester)
  • [2-(4-methylphenyl)-1,3-benzothiazol-4-yl] acetate
  • [2-(4-methylphenyl)-1,3-benzothiazol-4-yl] ethanoate
  • acetic acid [2-(4-methylphenyl)-1,3-benzothiazol-4-yl] ester
  • aompbt
CAS Number(s)
  • 122589-79-1
InChIKey RBCGOSAFAPGFGD-UHFFFAOYSA-N
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