4-(1H-Pyrazol-4-Yl)Butyl Carbamimidothioate

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Properties Simple | Detailed

Formula C8H14N4S
IUPAC Name 2-(4-pyrazol-1-ium-2-id-4-ylbutyl)isothiourea
Molecular Mass 198.289 g·mol−1
Heat of Formation 188.0 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 248.84 Å 3
Surface Area 245.38 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (4-pyrazolyl)butylisothiourea
  • 4-(1h-pyrazol-4-yl)butylsulfanylformamidine
  • 4-(1h-pyrazol-4-yl)butylsulfanylmethanimidamide
  • 4-pyrazolylbutylisothiourea
  • [4-(1h-pyrazol-4-yl)butylthio]formamidine
  • carbamimidothioic acid, 4-(1h-pyrazol-4-yl)butyl ester
CAS Number(s)
  • 91918-09-1
InChIKey YMQYXKPNMLSMGO-UHFFFAOYSA-N
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