S-1,3-Benzothiazol-2-Yl-L-Cysteine

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Properties Simple | Detailed

Formula C10H10N2O2S2
IUPAC Name (2r)-2-amino-3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid
Molecular Mass 254.329 g·mol−1
Heat of Formation -154.9 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 277.95 Å 3
Surface Area 260.18 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid
  • (2r)-2-amino-3-(1,3-benzothiazol-2-ylthio)propanoic acid
  • (2r)-2-amino-3-(1,3-benzothiazol-2-ylthio)propionic acid
  • l-cysteine, s-2-benzothiazolyl-
  • s-(2-benzothiazolyl)-l-cysteine
  • s-(2-benzothiazolyl)cysteine
CAS Number(s)
  • 399-82-6
InChIKey KRBPTLCTECPKGY-LURJTMIESA-N
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