6-Tert-Butyl-4-Isobutylideneamino-3-Methylthio-1,2,4-Triazin-5(4H)-One

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Properties Simple | Detailed

Formula C12H20N4OS
IUPAC Name 6-tert-butyl-4-[(e)-2-methylpropylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
Molecular Mass 268.378 g·mol−1
Heat of Formation 12.7 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 333.44 Å 3
Surface Area 305.29 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,4-triazin-5(4h)-one, 6-(1,1-dimethylethyl)-4-((2-methylpropylidene)amino)-3-(methylthio)-
  • 1,2,4-triazin-5(4h)-one, 6-(1,1-dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)-
  • 6-(1,1-dimethylethyl)-4-((2-methylpropylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4h)-one
  • 6-tert-butyl-4-(2-methylpropylideneamino)-3-(methylthio)-1,2,4-triazin-5-one
  • 6-tert-butyl-4-isobutylidenamino-3-methylthio-1,2,4-triazin-5-one
  • 6-tert-butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one
  • dic 1577
  • isomethiozin
  • tantizon
CAS Number(s)
  • 57052-04-7
InChIKey MZTLOILRKLUURT-NTUHNPAUSA-N
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