Imidazolylsulfide

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Properties Simple | Detailed

Formula C3H4N2S
IUPAC Name imidazole-1,3-diium-2-thione
Molecular Mass 100.142 g·mol−1
Heat of Formation 141.4 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 113.8 Å 3
Surface Area 125.7 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C2v
Synonyms
  • 1,3-dihydroimidazole-2-thione
  • 1,3-vinylenethiourea
  • 1h-imidazole-2-thiol
  • 1h-imidazolethiol
  • 2-imidazolethiol
  • 2-mercaptoimidazole
  • 2-thioxo-2,3-dihydroimidazole
  • 2h-imidazole-2-thione, 1,3-dihydro-
  • 4-imidazoline-2-thione
  • ap-836/41220351
  • imidazole, 2-mercapto-
  • imidazole-2-thiol
  • mercaptoimidazole
  • usaf el-57
CAS Number(s)
  • 49556-19-6
  • 4708-60-5
  • 55107-84-1
  • 872-35-5
InChIKey OXFSTTJBVAAALW-UHFFFAOYSA-N
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