(1-Sulfanylcyclohexyl)Acetic Acid

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Properties Simple | Detailed

Formula C8H14O2S
IUPAC Name 2-(1-sulfanylcyclohexyl)acetic acid
Molecular Mass 174.261 g·mol−1
Heat of Formation -494.4 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 212.47 Å 3
Surface Area 194.39 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1-mercaptocyclohexaneacetic acid
  • 2-(1-mercaptocyclohexyl)acetic acid
  • 2-(1-sulfanylcyclohexyl)ethanoic acid
  • 3-mercapto-3,3-cyclopentamethylenepropionic acid
  • cyclohexaneacetic acid, 1-mercapto-
CAS Number(s)
  • 108330-39-8
InChIKey ONFANJHTZUJAMZ-UHFFFAOYSA-N
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