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

Molecule SVG Image

Properties Simple | Detailed

Formula C14H15N2OS
IUPAC Name 6-isocyano-n,2,2-trimethyl-chromene-4-carbothioamide
Molecular Mass 259.347 g·mol−1
Heat of Formation 189.4 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 322.6 Å 3
Surface Area 283.99 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N