3-(Chloromethyl)-4H-Thiochromen-4-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C10H7ClO3S
IUPAC Name 3-(chloromethyl)-1,1-dioxo-thiochromen-4-one
Molecular Mass 242.679 g·mol−1
Heat of Formation -308.4 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 242.39 Å 3
Surface Area 226.47 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1-thiochromone, 3-(chloromethyl)-, 1,1-dioxide
  • 3-(chloromethyl)-1,1-diketo-thiochromen-4-one
  • 3-(chloromethyl)-1,1-dioxo-4-thiochromenone
  • 3-(chloromethyl)-1,1-dioxothiochromen-4-one
  • 3-(chloromethyl)thiochromone 1,1-dioxide
  • 3-chloromethylthiochromone-1,1-dioxide
  • 4h-1-benzothiopyran-4-one, 3-(chloromethyl)-, 1,1-dioxide (9ci)
CAS Number(s)
  • 77694-48-5
InChIKey BDRWMOVNTQHPKN-UHFFFAOYSA-N
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