2-Methyl-1-Benzothiophene 1,1-Dioxide

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Properties Simple | Detailed

Formula C9H8O2S
IUPAC Name 2-methylbenzothiophene 1,1-dioxide
Molecular Mass 180.224 g·mol−1
Heat of Formation -154.8 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 199.91 Å 3
Surface Area 193.02 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-methylthianaphthene-1,1 dioxide
  • 2-methylthianaphthene-1,1-dioxide
  • benzo[b]thiophene 1,1-dioxide,2-methyl-
  • benzo[b]thiophene, 2-methyl-, 1,1-dioxide
CAS Number(s)
  • 6224-55-1
InChIKey BRNMIIDEQOJZTP-UHFFFAOYSA-N
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