5-{[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrien-1-Yl]Sulfanyl}-1H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C17H27N3S
IUPAC Name 3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-4-aza-2-azonia-1-azanidacyclopenta-2,4-diene
Molecular Mass 305.481 g·mol−1
Heat of Formation 132.8 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 414.82 Å 3
Surface Area 334.75 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole, 3-((3,7,11-trimethyl-2,6,10-dodecatrienyl)thio)-, (e,e)-
  • 3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-2h-1,2,4-triazole
  • 3-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-2h-1,2,4-triazole
  • 3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-2h-1,2,4-triazole
  • 3-[[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]-2h-1,2,4-triazole
  • farnesyl thiotriazole
  • farnesylthiotriazole
  • hsci1_000074
  • s-farnesyl-3-thio-1h-1,2,4-triazole
CAS Number(s)
  • 156604-45-4
InChIKey QFXNCKFWHATRCH-XGGJEREUSA-N
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