7-(3,4-Dimethoxyphenyl)-5-(Ethylsulfanyl)Imidazo[1,2-C]Pyrimidine

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Properties Simple | Detailed

Formula C16H18N3O2S+
IUPAC Name 7-(3,4-dimethoxyphenyl)-5-ethylsulfanyl-imidazo[1,2-c]pyrimidin-4-ium-1-ide
Molecular Mass 316.398 g·mol−1
Heat of Formation 42.0 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 367.7 Å 3
Surface Area 330.24 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry Cs
Synonyms
  • 7-(3,4-dimethoxyphenyl)-5-(ethylthio)imidazo[2,1-f]pyrimidine
  • 7-(3,4-dimethoxyphenyl)-5-ethylsulfanyl-imidazo[2,1-f]pyrimidine
InChIKey VCAREOFNIBYKAE-UHFFFAOYSA-N
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