1H-Pyrazol-5-Amine, 1-Methyl-4-((3-Methylbutyl)Thio)-3-Phenyl-

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Properties Simple | Detailed

Formula C15H21N3S
IUPAC Name 4-isopentylsulfanyl-2-methyl-5-phenyl-pyrazol-2-ium-1-id-3-amine
Molecular Mass 275.412 g·mol−1
Heat of Formation 181.2 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 351.75 Å 3
Surface Area 296.8 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-3-phenyl-4-(3'-methyl)butylthio-5-aminopyrazole
  • 2-methyl-4-(3-methylbutylsulfanyl)-5-phenyl-pyrazol-3-amine
  • 2-methyl-4-(3-methylbutylsulfanyl)-5-phenylpyrazol-3-amine
  • 4-(isopentylthio)-2-methyl-5-phenyl-3-pyrazolamine
  • 4-isopentylsulfanyl-2-methyl-5-phenyl-pyrazol-3-amine
  • [4-(isoamylthio)-2-methyl-5-phenyl-pyrazol-3-yl]amine
  • aatp-iv
CAS Number(s)
  • 32528-00-0
InChIKey XMVXQESQBHZDPK-UHFFFAOYSA-N
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