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

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Properties Simple | Detailed

Formula C15H27N3O2S
IUPAC Name 5-dodecylsulfanyl-2h-triazole-4-carboxylic acid
Molecular Mass 313.459 g·mol−1
Heat of Formation -330.3 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 407.8 Å 3
Surface Area 390.6 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-(dodecylthio)-2h-triazole-4-carboxylic acid
  • 5-(laurylthio)-2h-triazole-4-carboxylic acid
  • 5-dodecylsulfanyl-2h-1,2,3-triazole-4-carboxylic acid
InChIKey IEZPFPQAXAREGM-UHFFFAOYSA-N
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