2-(Aminosulfanyl)-1,3-Benzothiazole

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Properties Simple | Detailed

Formula C7H6N2S2
IUPAC Name s-(1,3-benzothiazol-2-yl)thiohydroxylamine
Molecular Mass 182.266 g·mol−1
Heat of Formation 277.1 ± 16.7 kJ·mol−1
Dipole Moment 1.02 ± 1.08 D
Volume 195.66 Å 3
Surface Area 195.14 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-benzothiazolesulfenamide
  • 2-benzothiazolylsulfenamide
  • 2-benzothiazylsulfenamide
  • 2-sulfenamidobenzothiazole
  • s-(1,3-benzothiazol-2-yl)thiohydroxylamine
CAS Number(s)
  • 2801-21-0
InChIKey GPNLWUFFWOYKLP-UHFFFAOYSA-N
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