3-Benzyl-1,3-Benzothiazol-3-Ium

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Properties Simple | Detailed

Formula C14H12NS+
IUPAC Name 3-benzyl-1,3-benzothiazol-3-ium
Molecular Mass 226.317 g·mol−1
Heat of Formation 2609.5 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 253.11 Å 3
Surface Area 228.63 Å 2
Point Group Symmetry C1
Synonyms
  • 3-(benzyl)-1,3-benzothiazol-3-ium
  • 3-(phenylmethyl)-1,3-benzothiazol-3-ium
  • 3-benzyl-1,3-benzothiazol-3-ium
  • benzothiazolium, 3-(phenylmethyl)-
  • inchi=1/c14h12ns/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15/h1-9,11h,10h2/q+
  • zinc00041240
InChIKey DUYUXBIGMDWPQH-UHFFFAOYSA-N
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