2,2'-(2,1,3-Benzothiadiazole-4,7-Diylidene)Dimalononitrile

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Properties Simple | Detailed

Formula C12H4N6S
IUPAC Name 2-[4-(dicyanomethylene)-2,1,3-benzothiadiazol-7-ylidene]propanedinitrile
Molecular Mass 264.265 g·mol−1
Heat of Formation 984.1 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 290.84 Å 3
Surface Area 269.17 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -3.35 ± eV
Point Group Symmetry C2v
Synonyms
  • 2-[7-(dicyanomethylene)piazthiol-4-ylidene]malononitrile
  • propanedinitrile, 2,2'-(2,1,3-benzothiadiazole-4,7-diylidene)bis-
InChIKey YJKTUPPCYLQBQA-UHFFFAOYSA-N
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