4-Methyl-3-(Methylsulfonyl)-5-Phenyl-4H-1,2,4-Triazole

Molecule SVG Image

Properties Simple | Detailed

Formula C10H11N3O2S
IUPAC Name 4-methyl-3-methylsulfonyl-5-phenyl-1,2,4-triazole
Molecular Mass 237.278 g·mol−1
Heat of Formation -41.0 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 261.34 Å 3
Surface Area 245.95 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3-mesyl-4-methyl-5-phenyl-1,2,4-triazole
  • 4h-1,2,4-triazole, 4-methyl-3-(methylsulfonyl)-5-phenyl-
  • mdl 27531
CAS Number(s)
  • 116850-44-3
InChIKey DPGDRICHXKQXEN-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