1H-Pyrazole-4-Carbonitrile, 5-Amino-3-(Methylthio)-

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Properties Simple | Detailed

Formula C5H6N4S
IUPAC Name 5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile
Molecular Mass 154.193 g·mol−1
Heat of Formation 311.2 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 177.03 Å 3
Surface Area 180.44 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-5-(methylthio)-2h-pyrazole-4-carbonitrile
  • 3-amino-5-methylsulfanyl-2h-pyrazole-4-carbonitrile
  • 5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile
  • asn 12371813
CAS Number(s)
  • 72760-85-1
InChIKey IUVUVQGOSHLPJV-UHFFFAOYSA-N
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