6-Isocyano-N,2,2-Trimethyl-2H-Chromene-4-Carbothioamide

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Properties Simple | Detailed

Formula C14H14N2OS
IUPAC Name 6-isocyano-n,2,2-trimethyl-chromene-4-carbothioamide
Molecular Mass 258.339 g·mol−1
Heat of Formation 189.4 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 322.59 Å 3
Surface Area 284.09 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-4-carbothioamide, 6-cyano-n,2,2-trimethyl-
  • 6-cdbtc
  • 6-cyano-2,2-dimethyl-n-methyl-2h-1-benzopyran-4-thiocarboxamide
  • 6-isocyano-n,2,2-trimethyl-4-chromenecarbothioamide
  • 6-isocyano-n,2,2-trimethyl-chromene-4-carbothioamide
CAS Number(s)
  • 134122-04-6
InChIKey LZPFYNDSDYEQPZ-UHFFFAOYSA-N
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