3-Amino-5-Mercapto-1,2,4-Triazole

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Properties Simple | Detailed

Formula C2H4N4S
IUPAC Name 5-amino-1,2,4-triazole-1,2-diium-3-thione
Molecular Mass 116.145 g·mol−1
Heat of Formation 288.9 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 125.15 Å 3
Surface Area 137.81 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazolidine-3-thione, 5-imino-
  • 1,2,4-triazolidine-3-thione, 5-imino- (7ci,8ci)
  • 1,2-dihydro-5-amino-3h-1,2,4-triazole-3-thione
  • 1,2-triazolidine-3-thione, 5-imino-
  • 3-amino-1,2,4-triazole-5-thiol
  • 3-imino-5-thiourazole
  • 3h-1,2,4-triazole-3-thione, 1,2-dihydro-5-amino-
  • 3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro-
  • 5-amino-1,2-dihydro-1,2,4-triazole-3-thione
  • 5-amino-1,2-dihydro-3h,1,2,4-triazole-3-thione
  • 5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione
  • ent 61388
  • iminothiourazole
  • s-triazole-3-thiol, 5-amino-
  • t0516-7194
  • tos-bb-1188
CAS Number(s)
  • 29087-39-6
  • 41434-29-1
  • 43162-44-3
  • 16691-43-3
  • 134127-91-6
  • 15988-12-2
InChIKey WZUUZPAYWFIBDF-UHFFFAOYSA-N
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