S-(4-Bromo-2,5-Dihydroxyphenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C9H10BrNO4S
IUPAC Name (2r)-2-amino-3-(4-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid
Molecular Mass 308.149 g·mol−1
Heat of Formation -589.7 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 283.94 Å 3
Surface Area 264.2 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(4-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid
  • (2r)-2-amino-3-(4-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid
  • (2r)-2-amino-3-[(4-bromo-2,5-dihydroxy-phenyl)thio]propionic acid
  • (2r)-2-amino-3-[(4-bromo-2,5-dihydroxyphenyl)thio]propanoic acid
  • 2-bromo-5-(cystein-s-yl)hydroquinone
  • 2-bromo-5-cystein-s-ylhydroquinone
  • l-cysteine, s-(4-bromo-2,5-dihydroxyphenyl)-
CAS Number(s)
  • 126128-51-6
InChIKey LNMNYEGPADCPAZ-YFKPBYRVSA-N
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Elements C H O N S Br