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

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14N4S
IUPAC Name 2-(2,6-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N