5-(Dimethylsulfonio)Pentanoate

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Properties Simple | Detailed

Formula C7H15O2S
IUPAC Name 5-dimethylsulfoniopentanoate
Molecular Mass 163.258 g·mol−1
Heat of Formation -166.1 ± 16.7 kJ·mol−1
Dipole Moment 30.72 ± 1.08 D
Volume 212.98 Å 3
Surface Area 210.43 Å 2
HOMO Energy -6.78 ± 0.55 eV
LUMO Energy -2.86 ± eV
Point Group Symmetry C1
Synonyms
  • (4-carboxybutyl)dimethylsulfonium hydroxide, inner salt
  • 5-dimethylsulfoniovalerate
  • sulfonium, (4-carboxybutyl)dimethyl-, hydroxide, inner salt
CAS Number(s)
  • 78774-48-8
InChIKey XWVBBNDMCIQEJS-UHFFFAOYSA-N
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