6,7-Dimethoxy-2-(2-Trifluoromethylphenyl)-4H-Thiochromene

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Formula C18H15F3O2S
IUPAC Name 6,7-dimethoxy-2-[2-(trifluoromethyl)phenyl]-4h-thiochromene
Molecular Mass 352.371 g·mol−1
Heat of Formation -739.1 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 380.62 Å 3
Surface Area 331.36 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzothiopyran, 6,7-dimethoxy-2-(2-(trifluoromethyl)phenyl)-
  • 6,7-dimethoxy-2-[2-(trifluoromethyl)phenyl]-4h-thiochromene
  • ep-10161
CAS Number(s)
  • 108612-39-1
InChIKey BRMUHUFQEDLVAG-UHFFFAOYSA-N
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