4-Ethyl-5-(4-Fluorophenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione

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Properties Simple | Detailed

Formula C10H10FN3S
IUPAC Name 4-ethyl-3-(4-fluorophenyl)-1h-1,2,4-triazole-5-thione
Molecular Mass 223.270 g·mol−1
Heat of Formation 94.9 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 256.1 Å 3
Surface Area 236.38 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 4-ethyl-5-(4-fluorophenyl)-2h-1,2,4-triazole-3-thione
InChIKey GOJHSRQOQIHNJX-UHFFFAOYSA-N
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Elements H S N C F