5-Amino-3-(4-Chlorophenyl)-N-Methyl-1H-1,2,4-Triazole-1-Carbothioamide

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Properties Simple | Detailed

Formula C10H10ClN5S
IUPAC Name 5-amino-3-(4-chlorophenyl)-n-methyl-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene-1-carbothioamide
Molecular Mass 267.738 g·mol−1
Heat of Formation 365.0 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 289.8 Å 3
Surface Area 273.9 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-1,2,4-triazole-1-carbothioamide, 5-amino-3-(4-chlorophenyl)-n-methyl-
  • 5-amino-3-(4-chlorophenyl)-n-methyl-1,2,4-triazole-1-carbothioamide
  • gcc-ap0341
CAS Number(s)
  • 168893-29-6
InChIKey PWDDJOGPFSDPEK-UHFFFAOYSA-N
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Elements H S N C Cl