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

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Properties Simple | Detailed

Formula C9H16N4S2
IUPAC Name 1-methyl-3-[2-[(5-methylimidazol-1-ium-5-ylium-4-yl)methylsulfanyl]ethyl]thiourea
Molecular Mass 244.380 g·mol−1
Heat of Formation 102.0 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 295.92 Å 3
Surface Area 248.35 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-2-thiourea
  • 1-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]-2-thiourea
  • 3-methyl-1-(2-((5-methyl-4-imidazolyl)methylthio)ethyl)thiourea
  • 3-methyl-1-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
  • 3-methyl-1-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethyl]thiourea
  • ae-641/30115027
  • d05004
  • methiamide
  • metiamide
  • metiamide (usan)
  • n-methyl-n'-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)thiourea
  • n-methyl-n'-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]thiourea
  • pdsp1_000614
  • pdsp2_000611
  • sk&f 92058
  • skf 92058
  • thiourea, n-methyl-n'-(2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)-
  • thiourea, n-methyl-n'-[2-[[(5-methyl-1h-imidazol-4-yl)methyl]thio]ethyl]-
  • urea, 1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-2-thio-
CAS Number(s)
  • 34839-70-8
InChIKey FPBPLBWLMYGIQR-UHFFFAOYSA-N
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