(1S,2S)-1,2-Dihydrobenzo[B]Naphtho[2,1-D]Thiophene-1,2-Diol

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Properties Simple | Detailed

Formula C16H12O2S
IUPAC Name (1s,2s)-1,2-dihydronaphtho[8,7-b]benzothiophene-1,2-diol
Molecular Mass 268.330 g·mol−1
Heat of Formation -102.7 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 297.52 Å 3
Surface Area 267.07 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s)-1,2-dihydronaphtho[8,7-b]benzothiophene-1,2-diol
  • 1,2-dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene
  • benzo(b)naphtho(2,1-d)thiophene-1,2-diol, 1,2-dihydro-, trans-
  • trans-1,2-dihydroxy-1,2-dihydrobenzo(b)naphtho(2,1-d)thiophene
CAS Number(s)
  • 125847-45-2
InChIKey BYFVXOICIXESGI-SWLSCSKDSA-N
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