4-Methyl-5-[3-(Methylthio)-1H-Pyrazol-5-Yl]-2-(2-Thienyl)-1,3-Thiazole

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Properties Simple | Detailed

Formula C12H11N3S3
IUPAC Name 4-methyl-5-(5-methylsulfanylpyrazol-2-ium-1-id-3-yl)-2-(2-thienyl)thiazole
Molecular Mass 293.431 g·mol−1
Heat of Formation 414.4 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 322.57 Å 3
Surface Area 299.92 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-5-(5-methylsulfanyl-2h-pyrazol-3-yl)-2-(2-thienyl)thiazole
  • 4-methyl-5-(5-methylsulfanyl-2h-pyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole
  • 4-methyl-5-[5-(methylthio)-2h-pyrazol-3-yl]-2-(2-thienyl)thiazole
  • sr-01000641716-1
InChIKey QVFLVBFBDVWAJG-UHFFFAOYSA-N
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Elements H C S N