3-Methyl-3-Sulfanylbutyl Acetate

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Properties Simple | Detailed

Formula C7H14O2S
IUPAC Name (3-methyl-3-sulfanyl-butyl) acetate
Molecular Mass 162.250 g·mol−1
Heat of Formation -483.4 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 209.62 Å 3
Surface Area 205.29 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • (3-methyl-3-sulfanyl-butyl) ethanoate
  • (3-methyl-3-sulfanylbutyl) acetate
  • 3-mercapto-3-methylbutyl- acetate
  • acetic acid (3-mercapto-3-methyl-butyl) ester
  • acetic acid (3-mercapto-3-methylbutyl) ester
  • acetic acid, 3-mercapto-3-methylbutyl ester
InChIKey HEZWKNVLHZGPOE-UHFFFAOYSA-N
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