(2E)-3-(Methylsulfanyl)Acrylic Acid

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Properties Simple | Detailed

Formula C4H6O2S
IUPAC Name (e)-3-methylsulfanylprop-2-enoic acid
Molecular Mass 118.154 g·mol−1
Heat of Formation -324.5 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 139.27 Å 3
Surface Area 151.81 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry Cs
Synonyms
  • (e)-3-(methylthio)acrylic acid
  • (e)-3-(methylthio)prop-2-enoic acid
  • (e)-3-methylsulfanylprop-2-enoic acid
  • 2-propenoic acid, 3-(methylthio)-, (e)-
  • 3-methylthioacrylic acid
CAS Number(s)
  • 26398-93-6
InChIKey RCZLOQQOUWHMIS-NSCUHMNNSA-N
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