1,3-Benzothiazole-2-Carbonitrile

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Properties Simple | Detailed

Formula C8H4N2S
IUPAC Name 1,3-benzothiazole-2-carbonitrile
Molecular Mass 160.196 g·mol−1
Heat of Formation 367.1 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 179.57 Å 3
Surface Area 181.81 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-benzothiazolecarbonitrile
  • zero/008964
InChIKey UYHQUNLVWOAJQW-UHFFFAOYSA-N
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Elements H S C N