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

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Properties Simple | Detailed

Formula C9H8N2S2
IUPAC Name 4-methyl-5-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Molecular Mass 208.303 g·mol−1
Heat of Formation 380.2 ± 16.7 kJ·mol−1
Dipole Moment 9.29 ± 1.08 D
Volume 239.88 Å 3
Surface Area 226.22 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry Cs
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
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