4-Phenyl-5-Tridecyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione

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Properties Simple | Detailed

Formula C21H33N3S
IUPAC Name 4-phenyl-3-tridecyl-1h-1,2,4-triazole-5-thione
Molecular Mass 359.572 g·mol−1
Heat of Formation 49.9 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 488.5 Å 3
Surface Area 438.03 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
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  • 1
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  • 4
  • 5
  • a
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  • d
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  • h
  • i
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  • n
  • o
  • p
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InChIKey GILIMJSCUOWWRU-UHFFFAOYSA-N
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Elements H S C N