(2S)-1-(3-Sulfanylpropanoyl)-1,2,3,4-Tetrahydro-2-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C13H15NO3S
IUPAC Name (2s)-1-(3-sulfanylpropanoyl)-3,4-dihydro-2h-quinoline-2-carboxylic acid
Molecular Mass 265.328 g·mol−1
Heat of Formation -469.3 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 305.91 Å 3
Surface Area 274.36 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(3-mercapto-1-oxopropyl)-3,4-dihydro-2h-quinoline-2-carboxylic acid
  • (2s)-1-(3-mercaptopropanoyl)-3,4-dihydro-2h-quinoline-2-carboxylic acid
  • (2s)-1-(3-sulfanylpropanoyl)-3,4-dihydro-2h-quinoline-2-carboxylic acid
  • 1,2,3,4-tetrahydro-2 (3-mercapto-1-oxopropyl)-2-quinolinecarboxylic acid
  • 2-quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-(3-mercapto-1-oxopropyl)-, (s)-
CAS Number(s)
  • 75494-01-8
InChIKey YGYNTRGPFBSTAZ-NSHDSACASA-N
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