Ethyl 2-(2-Phenylthiazolo(3,2-B)(1,2,4)Triazol-6-Yl)-4-Thiazolecarboxylate

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Properties Simple | Detailed

Formula C16H12N4O2S2
IUPAC Name ethyl 2-(2-phenylthiazolo[3,2-b][1,2,4]triazole-4,7-diium-6-yl)thiazole-4-carboxylate
Molecular Mass 356.422 g·mol−1
Heat of Formation 280.1 ± 16.7 kJ·mol−1
Dipole Moment 0.61 ± 1.08 D
Volume 384.37 Å 3
Surface Area 355.71 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-phenyl-6-thiazolo[2,3-e][1,2,4]triazolyl)-4-thiazolecarboxylic acid ethyl ester
  • 2-(2-phenylthiazolo[2,3-e][1,2,4]triazol-6-yl)thiazole-4-carboxylic acid ethyl ester
  • 2-phenyl-6-(2'-(4'-(ethoxycarbonyl)thiazolyl))thiazolo(3,2-b)(1,2,4)triazole
  • 4-thiazolecarboxylic acid, 2-(2-phenylthiazolo(3,2-b)(1,2,4)triazol-6-yl)-, ethyl ester
  • ethyl 2-(2-phenyl-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-yl)-1,3-thiazole-4-carboxylate
  • ethyl 2-(2-phenylthiazolo[2,3-e][1,2,4]triazol-6-yl)thiazole-4-carboxylate
CAS Number(s)
  • 98119-88-1
InChIKey OHFGWCTVJHPJMY-UHFFFAOYSA-N
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