S-(3-Bromo-2,5-Dihydroxyphenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C9H10BrNO4S
IUPAC Name (2r)-2-amino-3-(3-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid
Molecular Mass 308.149 g·mol−1
Heat of Formation -603.7 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 286.24 Å 3
Surface Area 263.76 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(3-bromo-2,5-dihydroxy-phenyl)sulfanyl-propanoic acid
  • (2r)-2-amino-3-[(3-bromo-2,5-dihydroxy-phenyl)thio]propionic acid
  • (2r)-2-amino-3-[(3-bromo-2,5-dihydroxyphenyl)thio]propanoic acid
  • 2-bromo-6-(cystein-s-yl)hydroquinone
  • 2-bromo-6-cystein-s-ylhydroquinone
  • l-cysteine, s-(3-bromo-2,5-dihydroxyphenyl)-
CAS Number(s)
  • 127391-97-3
InChIKey ZGGBQRJPGKLWMM-LURJTMIESA-N
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Elements C H O N S Br