4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione

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Properties Simple | Detailed

Formula C9H10N4S
IUPAC Name 4-amino-3-(o-tolyl)-1h-1,2,4-triazole-5-thione
Molecular Mass 206.267 g·mol−1
Heat of Formation 397.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 240.45 Å 3
Surface Area 227.32 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-(2-methylphenyl)-2h-1,2,4-triazole-3-thione
CAS Number(s)
  • 87239-95-0
InChIKey CUEYNOAJNUCBAP-UHFFFAOYSA-N
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Elements H C S N