5,5-Dimethyl-4-Phenyl-4,5-Dihydro-3H-1,2,4-Triazole-3-Thione

Molecule SVG Image

Properties Simple | Detailed

Formula C10H11N3S
IUPAC Name 5,5-dimethyl-4-phenyl-1,2,4-triazole-3-thione
Molecular Mass 205.279 g·mol−1
Heat of Formation 375.2 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 259.0 Å 3
Surface Area 223.59 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • ,
  • -
  • 1
  • 2
  • 3
  • 4
  • 5
  • a
  • d
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • t
  • y
  • z
InChIKey VWIOFPCPXHPMCO-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