Ethyl 1-Ethyl-4-Ethylthio-1H-Pyrazolo(3,4-B)Pyridine-5-Carboxylate

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Properties Simple | Detailed

Formula C13H17N3O2S
IUPAC Name ethyl 1-ethyl-4-ethylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxylate
Molecular Mass 279.358 g·mol−1
Heat of Formation -128.2 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 332.93 Å 3
Surface Area 295.18 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1-ethyl-4-(ethylthio)-1h-pyrazolo(3,4)pyridine-5-carboxylic acid ethyl ester
  • 1-ethyl-4-(ethylthio)-5-pyrazolo[4,5-e]pyridinecarboxylic acid ethyl ester
  • 1-ethyl-4-(ethylthio)pyrazolo[4,5-e]pyridine-5-carboxylic acid ethyl ester
  • 1h-pyrazolo(3,4-b)pyridine-5-carboxylic acid, 1-ethyl-4-(ethylthio)-, ethyl ester
  • ethyl 1-ethyl-4-ethylsulfanyl-pyrazolo[4,5-e]pyridine-5-carboxylate
  • ethyl 1-ethyl-4-ethylsulfanylpyrazolo[4,5-e]pyridine-5-carboxylate
  • sq 65,442
  • sq 65442
CAS Number(s)
  • 50476-43-2
InChIKey DAPJSAWQRYKJBL-UHFFFAOYSA-N
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