4-(3,5-Dimethylphenoxy)-5-{[(2-Furylmethyl)Sulfanyl]Methyl}-3-Iodo-6-Methyl-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C20H20INO3S
IUPAC Name 4-(3,5-dimethylphenoxy)-5-(2-furylmethylsulfanylmethyl)-3-iodo-6-methyl-pyridin-2-one
Molecular Mass 481.347 g·mol−1
Heat of Formation -223.4 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 466.11 Å 3
Surface Area 365.44 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyridinone, 4-(3,5-dimethylphenoxy)-5-[[(2-furanylmethyl)thio]methyl]-3-iodo-6-methyl-
  • 4-(3,5-dimethylphenoxy)-5-(2-furylmethylsulfanylmethyl)-3-iodo-6-methyl-1h-pyridin-2-one
  • 4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methyl-1h-pyridin-2-one
  • 4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1h)-one
  • 4-(3,5-dimethylphenoxy)-5-[(2-furylmethylthio)methyl]-3-iodo-6-methyl-1h-pyridin-2-one
  • 4-(3,5-dimethylphenoxy)-5-[(2-furylmethylthio)methyl]-3-iodo-6-methyl-2-pyridone
  • r22
  • r221239
InChIKey YZLKVEDFWLGNQP-UHFFFAOYSA-N
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