1H-1,2,4-Triazole-3-Thiol

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Properties Simple | Detailed

Formula C2H3N3S
IUPAC Name 1,2-dihydro-1,2,4-triazole-3-thione
Molecular Mass 101.130 g·mol−1
Heat of Formation 302.6 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 110.0 Å 3
Surface Area 122.97 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.53 ± eV
Point Group Symmetry C1
Synonyms
  • .delta.2-1,2,4-triazoline-5-thione
  • 1,2,4-triazole-3-thiol
  • 1,2,4-triazole-3-thiol (van)
  • 1,2,4-triazole-5-thiol
  • 1,2-dihydro-1,2,4-triazole-3-thione
  • 1,2-dihydro-3h-1,2,4-triazole-3-thione
  • 1,3,4-triazine-2-thiol
  • 1,3,4-triazole-2-thiol
  • 1h-1,2,4-triazole, 3-mercapto-
  • 1h-[1,2,4]-triazole-3-thiol
  • 2-mercapto-1,3,4-triazole
  • 2-mercapto-1,3,5-triazole
  • 3(5)-mercapto-1,2,4-triazole
  • 3-mercapto-1,2,4-triazole
  • 3-mercapto-1h-1,2,4-triazole
  • 3-mercapto-4h-1,2,4-triazole
  • 3h-1,2,4-triazole-3-thione, 1,2-dihydro-
  • 4h-1,2,4-triazole-3-thiol
  • 4h-1,2,4-triazole-3-thiol (van)
  • 5-mercapto-1,3,4-triazole
  • delta2-1,2,4-triazoline-5-thione (8ci)
  • s-triazole-3-thiol
CAS Number(s)
  • 17357-98-1
  • 3179-31-5
  • 51099-88-8
  • 7271-43-4
InChIKey AFBBKYQYNPNMAT-UHFFFAOYSA-N
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