3-Methyl-2-Phenyl-1,3,4-Thiadiazol-3-Ium-5-Thiolate

Molecule SVG Image

Properties Simple | Detailed

Formula C9H12N2S2
IUPAC Name 4-methyl-5-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Molecular Mass 212.335 g·mol−1
Heat of Formation 380.5 ± 16.7 kJ·mol−1
Dipole Moment 9.26 ± 1.08 D
Volume 238.0 Å 3
Surface Area 226.34 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,4-thiadiazolium, 4,5-dihydro-3-methyl-2-phenyl-5-thioxo-, hydroxide, inner salt
  • didehydro-4-methyl-5-phenyl-1,3,4-thiadiazolidine-2-thione
  • lu 2443
  • lu-2443
CAS Number(s)
  • 19703-86-7
InChIKey KKABNDWCHGAGAZ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N