N-Acetyl-S-(4-Bromophenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C11H12BrNO3S
IUPAC Name (2r)-2-acetamido-3-(4-bromophenyl)sulfanyl-propanoic acid
Molecular Mass 318.187 g·mol−1
Heat of Formation -464.3 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 309.56 Å 3
Surface Area 288.54 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(4-bromophenyl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-(4-bromophenyl)sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[(4-bromophenyl)thio]propanoic acid
  • (2r)-2-acetamido-3-[(4-bromophenyl)thio]propionic acid
  • cysteine, n-acetyl-s-(4-bromophenyl)-
  • n-acetyl-s-(4-bromophenyl)cysteine
  • p-bpma
  • para-bromophenylmercapturic acid
  • s-(4-bromophenyl)mercapturic acid
CAS Number(s)
  • 21462-47-5
  • 3343-66-6
InChIKey FZPBUFAQZNZYPA-JTQLQIEISA-N
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Elements C H O N S Br