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

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Properties Simple | Detailed

Formula C8H17N3OS
IUPAC Name [(2z)-2-azanidylimino-3,3-dimethyl-butanoyl]-(methylsulfanylmethyl)azanide
Molecular Mass 203.305 g·mol−1
Heat of Formation 172.8 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 244.79 Å 3
Surface Area 234.14 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazin-5(2h)-one, 6-(1,1-dimethylethyl)-3-(methylthio)-
  • 6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(2h)-one
  • 6-tert-butyl-3-(methylthio)-2h-1,2,4-triazin-5-one
  • deaminated sencor
  • deaminometribuzin
CAS Number(s)
  • 35045-02-4
InChIKey MIWRSUQXSCLDNV-UHFFFAOYSA-N
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