O-Methyl [2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Carbamothioate

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Properties Simple | Detailed

Formula C8H12N4O3S
IUPAC Name o-methyl n-[2-(2-methyl-5-nitro-imidazol-1-ium-2-ylium-1-yl)ethyl]carbamothioate
Molecular Mass 244.271 g·mol−1
Heat of Formation -6.5 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 279.6 Å 3
Surface Area 254.69 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)carbamothioic acid o-methyl ester
  • 1-(2-ethylcarbamothioic acid o-methyl ester)-2-methyl-5-nitroimidazole
  • [2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]methanethioic acid o-methyl ester
  • [2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]methanethioic acid o-methyl ester
  • carbamothioic acid, (2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)-, o-methyl este
  • carbamothioic acid, (2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)-, o-methyl ester
  • carbamothioic acid, [2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-, o-methyl ester
  • carnidazole
  • carnidazole (usan)
  • d03408
  • me 108
  • o-methyl (2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)carbamothioate
  • o-methyl (2-(2-methyl-5-nitroimidazol-1-yl)ethyl)thiocarbamate
  • o-methyl [2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]methanethioate
  • o-methyl [2-(2-methyl-5-nitroimidazol-1-yl)ethyl]thiocarbamate
  • o-methyl [2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]methanethioate
  • r 25,831 [as the free base]
  • r 25831
  • r 28,096 [as hydrochloride]
CAS Number(s)
  • 42116-76-7
InChIKey OVEVHVURWWTPFC-UHFFFAOYSA-N
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