4-Mercaptobenzoic Acid

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Properties Simple | Detailed

Formula C7H6O2S
IUPAC Name 4-sulfanylbenzoic acid
Molecular Mass 154.186 g·mol−1
Heat of Formation -274.3 ± 16.7 kJ·mol−1
Dipole Moment 1.20 ± 1.08 D
Volume 174.15 Å 3
Surface Area 175.61 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-mercaptobenzoate
  • benzoic acid, 4-mercapto-
  • benzoic acid, p-mercapto-
  • para-mercaptobenzoate
CAS Number(s)
  • 1074-36-8
InChIKey LMJXSOYPAOSIPZ-UHFFFAOYSA-N
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DOI
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