4H-Thiochromen-4-One

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Properties Simple | Detailed

Formula C9H6OS
IUPAC Name thiochromen-4-one
Molecular Mass 162.208 g·mol−1
Heat of Formation 35.3 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 180.61 Å 3
Surface Area 177.15 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-thiochromone
  • 4-thiochromenone
  • 4h-1-benzothiopyran-4-one
CAS Number(s)
  • 491-39-4
InChIKey DHSYDTXGFJPXKA-UHFFFAOYSA-N
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