4-Methylthio Benzoic Acid

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Properties Simple | Detailed

Formula C8H8O2S
IUPAC Name 4-methylsulfanylbenzoic acid
Molecular Mass 168.213 g·mol−1
Heat of Formation -284.4 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 194.75 Å 3
Surface Area 192.81 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-(methylmercapto)benzoic acid
  • 4-(methylthio)benzoic acid
  • benzoic acid, 4-(methylthio)-
  • benzoic acid, p-(methylthio)-
  • p-(methylthio)benzoic acid
CAS Number(s)
  • 13205-48-6
InChIKey KWHCPERWLHBLOT-UHFFFAOYSA-N
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