2-(3,5-Dimethyl-Pyrazol-1-Yl)-Benzothiazole

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Properties Simple | Detailed

Formula C12H11N3S
IUPAC Name 2-(3,5-dimethylpyrazol-1-ium-2-id-1-yl)-1,3-benzothiazole
Molecular Mass 229.301 g·mol−1
Heat of Formation 361.1 ± 16.7 kJ·mol−1
Dipole Moment 0.65 ± 1.08 D
Volume 263.48 Å 3
Surface Area 251.61 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-benzothiazolyl-3,5-dimethylpyrazole
  • 2-(3,5-dimethyl-1-pyrazolyl)-1,3-benzothiazole
  • 2-(3,5-dimethyl-1-pyrazolyl)benzothiazole
  • 2-(3,5-dimethyl-1h-pyrazol-1-yl)benzothiazole
  • 2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazole
  • ae-641/02474044
  • bas 05305707
  • benzothiazole, 2-(3,5-dimethyl-1-pyrazolyl)-
  • benzothiazole, 2-(3,5-dimethyl-1h-pyrazol-1-yl)- (10ci)
CAS Number(s)
  • 23615-60-3
InChIKey QIVHQZNEFYWQJH-UHFFFAOYSA-N
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