Imetit

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Properties Simple | Detailed

Formula C6H10N4S
IUPAC Name 2-(2-imidazol-3-ium-4-ylium-4-ylethyl)isothiourea
Molecular Mass 170.235 g·mol−1
Heat of Formation 180.0 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 203.94 Å 3
Surface Area 200.65 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1h-imidazol-4-yl)ethyl carbamimidothioate
  • 2-(3h-imidazol-4-yl)ethylsulfanylformamidine
  • 2-(3h-imidazol-4-yl)ethylsulfanylmethanimidamide
  • [2-(3h-imidazol-4-yl)ethylthio]formamidine
  • carbamimidothioic acid, 2-(1h-imidazol-4-yl)ethyl ester
  • s-(2-(4-imidazolyl)ethyl)isothiourea
  • tocris-0729
CAS Number(s)
  • 102203-18-9
InChIKey PEHSVUKQDJULKE-UHFFFAOYSA-N
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