1-(2,6-Dimethylphenyl)-3-(Methylsulfanyl)-1H-1,2,4-Triazol-5-Amine

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Properties Simple | Detailed

Formula C11H14N4S
IUPAC Name 2-(2,6-dimethylphenyl)-5-methylsulfanyl-4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-amine
Molecular Mass 234.321 g·mol−1
Heat of Formation 273.5 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 287.17 Å 3
Surface Area 257.08 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2,6-dimethylphenyl)-5-(methylthio)-1,2,4-triazol-3-amine
  • 2-(2,6-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
  • [2-(2,6-dimethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]amine
InChIKey GBNUCNBONTVMKX-UHFFFAOYSA-N
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Elements H S C N