3-Methyl-1,2,4-Triazole-5-Thione

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Properties Simple | Detailed

Formula C3H5N3S
IUPAC Name 5-methyl-1,2-dihydro-1,2,4-triazole-3-thione
Molecular Mass 115.157 g·mol−1
Heat of Formation 254.6 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 130.69 Å 3
Surface Area 142.93 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole, 3-thiol-5-methyl-
  • 3h-1,2,4-triazole-3-thione, 1,2-dihydro-5-methyl-
  • 5-mdtt
  • 5-methyl-1,2,4-triazole-3-thiol
  • 5-methyl-2,4-dihydro-3h-1,2,4-triazole-3-thione
  • ms-2947
  • rs-0255
CAS Number(s)
  • 7271-44-5
  • 4922-91-2
  • 39255-68-0
InChIKey OUZCWDMJTKYHCA-UHFFFAOYSA-N
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