4-Amino-5-(3,4-Dimethoxy-Phenyl)-4H-[1,2,4]Triazole-3-Thiol

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12N4O2S
IUPAC Name 4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-2,4-diium-3-thione
Molecular Mass 252.293 g·mol−1
Heat of Formation 117.8 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 284.17 Å 3
Surface Area 264.76 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-(3,4-dimethoxyphenyl)-2h-1,2,4-triazole-3-thione
  • bim-0036068.p001
  • cbmicro_036159
  • zero/009889
CAS Number(s)
  • 125866-62-8
InChIKey UVDXESRWIPPBPS-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 O N