1-(2-{[(4-Ethyl-1H-Imidazol-5-Yl)Methyl]Sulfanyl}Ethyl)-3-Methylthiourea

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Properties Simple | Detailed

Formula C10H18N4S2
IUPAC Name 1-[2-[(5-ethylimidazol-3-ium-4-ylium-4-yl)methylsulfanyl]ethyl]-3-methyl-thiourea
Molecular Mass 258.407 g·mol−1
Heat of Formation 105.5 ± 16.7 kJ·mol−1
Dipole Moment 8.59 ± 1.08 D
Volume 320.13 Å 3
Surface Area 273.33 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-[(5-ethyl-3h-imidazol-4-yl)methylsulfanyl]ethyl]-3-methyl-thiourea
  • 1-[2-[(5-ethyl-3h-imidazol-4-yl)methylsulfanyl]ethyl]-3-methylthiourea
  • 1-[2-[(5-ethyl-3h-imidazol-4-yl)methylthio]ethyl]-3-methyl-thiourea
  • 1-[2-[(5-ethyl-3h-imidazol-4-yl)methylthio]ethyl]-3-methylthiourea
  • etiamide
  • n-methyl-n'-(2-(5-ethyl-4-imidazolylmethylthio)ethyl)thio-urea
  • thiourea, n-(2-(((5-ethyl-1h-imidazol-4-yl)methyl)thio)ethyl)-n'-methyl-
CAS Number(s)
  • 38603-25-7
InChIKey JPQIZBIHYOVWBR-UHFFFAOYSA-N
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