5-Amino-3-(Methylsulfanyl)-1-Phenyl-1H-Pyrazole-4-Carbonitrile

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Properties Simple | Detailed

Formula C11H10N4S
IUPAC Name 5-amino-3-methylsulfanyl-1-phenyl-pyrazol-1-ium-2-ide-4-carbonitrile
Molecular Mass 230.289 g·mol−1
Heat of Formation 439.6 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 269.96 Å 3
Surface Area 256.14 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 5-amino-3-(methylthio)-1-phenyl-4-pyrazolecarbonitrile
  • 5-amino-3-(methylthio)-1-phenyl-pyrazole-4-carbonitrile
  • 5-amino-3-methylsulfanyl-1-phenyl-pyrazole-4-carbonitrile
  • 5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile
  • an-647/13068005
  • sdccgmls-0066143.p001
CAS Number(s)
  • 59334-11-1
InChIKey IIOQJYJHSDCILE-UHFFFAOYSA-N
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Elements H C S N