(S)-4'-Chloro-G-Oxo-A-[(Phenylthio)Methyl][1,1'-Biphenyl]-4-Butanoic Acid

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Properties Simple | Detailed

Formula C23H19ClO3S
IUPAC Name (2s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
Molecular Mass 410.913 g·mol−1
Heat of Formation -315.0 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 494.08 Å 3
Surface Area 377.23 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-[4-(4-chlorophenyl)phenyl]-4-keto-2-[(phenylthio)methyl]butyric acid
  • (2s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
  • (2s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-[(phenylthio)methyl]butanoic acid
  • bay-12-9566
  • d03802
  • tanomastat (usan)
InChIKey JXAGDPXECXQWBC-LJQANCHMSA-N
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Elements H S C O Cl