3-[4-Hydroxy-3,5-Bis(2-Methyl-2-Propanyl)Phenyl]-7H-[1,3]Thiazolo[3,2-B][1,2,4]Triazin-7-One

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Properties Simple | Detailed

Formula C19H24N3O2S+
IUPAC Name 9-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-thia-2-aza-1-azonia-5-azanidabicyclo[4.3.0]nona-1(6),2,8-trien-4-one
Molecular Mass 358.478 g·mol−1
Heat of Formation -72.5 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 427.19 Å 3
Surface Area 367.48 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-7h-thiazolo(3,2-b)(1,2,4)triazin-7-one
  • 3-(3,5-di-t-butyl-4-hydroxyphenyl)-7h-thiazolo(3,2-b)(1,2,4)triazin-7-one
  • 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
  • 3-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazolo[3,2-b][1,2,4]triazin-7-one
  • 3-(3,5-ditert-butyl-4-hydroxyphenyl)-7-thiazolo[3,2-b][1,2,4]triazinone
  • 3-(3,5-ditert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
  • 7h-thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-
CAS Number(s)
  • 118788-41-3
InChIKey CRZGAOZTOAGGTQ-UHFFFAOYSA-N
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