2-(Butylsulfanyl)-1,3-Benzothiazole

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Properties Simple | Detailed

Formula C11H13NS2
IUPAC Name 2-butylsulfanyl-1,3-benzothiazole
Molecular Mass 223.358 g·mol−1
Heat of Formation 132.7 ± 16.7 kJ·mol−1
Dipole Moment 0.74 ± 1.08 D
Volume 265.53 Å 3
Surface Area 256.17 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(butylthio)-1,3-benzothiazole
  • 2-(butylthio)benzothiazole
  • 2-butylthiobenzothiazole
  • benzothiazole, 2-(butylthio)-
  • butylcaptax
CAS Number(s)
  • 2314-17-2
InChIKey PXSCUDKGNNWGBZ-UHFFFAOYSA-N
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