{(1Z)-5-Fluoro-2-Methyl-1-[4-(Methylsulfanyl)Benzylidene]-1H-Inden-3-Yl}Acetic Acid

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Properties Simple | Detailed

Formula C20H17FO2S
IUPAC Name 2-[(3z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid
Molecular Mass 340.411 g·mol−1
Heat of Formation -299.7 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 401.7 Å 3
Surface Area 350.86 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1h-indene-3-acetic acid
  • (z)-5-fluoro-2-methyl-1-[<i>p</i>-(methylthio)benzylidene]indene-3-acetic acid
  • (z)-5-fluoro-2-methyl-1-[p-(methylthio)benzylidene]indene-3-acetic acid
  • (z)-sulindac sulfide
  • 1h-indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-, (z)-
  • 2-[(3z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid
  • 2-[(3z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
  • 2-[(3z)-6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]acetic acid
  • 2-[(3z)-6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylene]-1-indenyl]acetic acid
CAS Number(s)
  • 49627-27-2
InChIKey LFWHFZJPXXOYNR-MFOYZWKCSA-N
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