S-(2,4,6-Trinitrophenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C9H8N4O8S
IUPAC Name (2r)-2-amino-3-(2,4,6-trinitrophenyl)sulfanyl-propanoic acid
Molecular Mass 332.247 g·mol−1
Heat of Formation -243.3 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 330.29 Å 3
Surface Area 291.18 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -2.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(2,4,6-trinitrophenyl)sulfanyl-propanoic acid
  • (2r)-2-amino-3-[(2,4,6-trinitrophenyl)thio]propanoic acid
  • (2r)-2-amino-3-[(2,4,6-trinitrophenyl)thio]propionic acid
  • s-(2,3,6-trinitrophenyl)cysteine
InChIKey HZVLUUGPGJKXHN-YFKPBYRVSA-N
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