5-(4-Chlorophenyl)-2,4-Dimethyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione

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Properties Simple | Detailed

Formula C10H10ClN3S
IUPAC Name 5-(4-chlorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione
Molecular Mass 239.724 g·mol−1
Heat of Formation 283.0 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 272.69 Å 3
Surface Area 252.86 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4-dihydro-5-(4-chlorophenyl)-2,4-dimethyl-3h-1,2,4-triazole-3-thione
  • 3h-1,2,4-triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2,4-dimethyl-
  • 5-(4-chlorophenyl)-2,4-dihydro-2,4-dimethyl-3h-1,2,4-triazole-3-thione
  • 5-(4-chlorophenyl)-2,4-dimethyl-1,2,4-triazole-3-thione
CAS Number(s)
  • 110623-24-0
InChIKey BQGRNCIJMQGMBY-UHFFFAOYSA-N
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DOI
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Elements H S N C Cl