(2S)-1-[(2S)-2-Methyl-3-Sulfanylpropanoyl]-2-Indolinecarboxylic Acid

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Properties Simple | Detailed

Formula C13H15NO3S
IUPAC Name (2s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]indoline-2-carboxylic acid
Molecular Mass 265.328 g·mol−1
Heat of Formation -464.7 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 309.63 Å 3
Surface Area 268.02 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (2s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]indoline-2-carboxylic acid
  • (2s)-1-[(2s)-2-methyl-3-sulfanylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (2s)-1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-2-indolinecarboxylic acid
  • (2s)-1-[(2s)-3-mercapto-2-methyl-propanoyl]indoline-2-carboxylic acid
  • 1h-indole-2-carboxylic acid, 2,3-dihydro-1-(3-mercapto-2-methyl-1-oxopropyl)-, (s-(r*,r*))-
  • 2,3-dihydro-1-(3-mercapto-2-methyl-1-oxopropyl)-1h-indoline-2-carboxylic acid
  • wy 44221
  • wy-44,221
  • wy-44221
CAS Number(s)
  • 78779-29-0
InChIKey XYVFGQVIZOKXTN-KCJUWKMLSA-N
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