1-Methyl-N-(2-Sulfanylethyl)-3-(Trifluoromethyl)-1H-Thieno[2,3-C]Pyrazole-5-Carboxamide

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Formula C10H10F3N3OS2
IUPAC Name 1-methyl-n-(2-sulfanylethyl)-3-(trifluoromethyl)thieno[2,3-c]pyrazole-1,6-diium-5-carboxamide
Molecular Mass 309.331 g·mol−1
Heat of Formation -530.4 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 321.22 Å 3
Surface Area 298.65 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
  • 1-methyl-n-(2-sulfanylethyl)-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide
  • f1g
  • n-(2-mercaptoethyl)-1-methyl-3-(trifluoromethyl)-5-thieno[4,5-d]pyrazolecarboxamide
  • n-(2-mercaptoethyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide
InChIKey HDKGQVZBBSICLG-UHFFFAOYSA-N
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