2-(Heptylsulfanyl)-1,3-Benzothiazole

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Properties Simple | Detailed

Formula C14H19NS2
IUPAC Name 2-heptylsulfanyl-1,3-benzothiazole
Molecular Mass 265.437 g·mol−1
Heat of Formation 67.6 ± 16.7 kJ·mol−1
Dipole Moment 0.91 ± 1.08 D
Volume 331.87 Å 3
Surface Area 318.85 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-(heptylthio)-1,3-benzothiazole
  • benzothiazole, 2-(heptylthio)-
CAS Number(s)
  • 15647-75-3
InChIKey YAPCOOZZOPRYLM-UHFFFAOYSA-N
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Elements H S C N