5-(3-Hydroxyphenyl)-1,3,4-Oxadiazole-2(3H)-Thione

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Properties Simple | Detailed

Formula C8H6N2O2S
IUPAC Name 5-(3-hydroxyphenyl)-3h-1,3,4-oxadiazole-2-thione
Molecular Mass 194.210 g·mol−1
Heat of Formation -1.6 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 209.79 Å 3
Surface Area 209.01 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-(5-mercapto-[1,3,4]oxadiazol-2-yl)-phenol
  • 5-(3-hydroxyphenyl)-3h-1,3,4-oxadiazole-2-thione
  • bas 01842473
  • oprea1_836042
InChIKey CNOGHDSTUCQSOV-UHFFFAOYSA-N
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