5-(6-Undecanylsulfanyl)-2H-1,2,3-Triazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H25N3O2S
IUPAC Name 5-(1-pentylhexylsulfanyl)-2h-triazole-4-carboxylic acid
Molecular Mass 299.432 g·mol−1
Heat of Formation -305.7 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 383.25 Å 3
Surface Area 355.38 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole
  • 5-(1-amylhexylthio)-2h-triazole-4-carboxylic acid
  • 5-(1-pentylhexylsulfanyl)-2h-triazole-4-carboxylic acid
  • 5-(1-pentylhexylthio)-2h-triazole-4-carboxylic acid
  • 5-undecan-6-ylsulfanyl-2h-1,2,3-triazole-4-carboxylic acid
  • 5-undecan-6-ylsulfanyl-2h-triazole-4-carboxylic acid
  • hst
InChIKey GROSWUGUHPUYIU-UHFFFAOYSA-N
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