S-(Benzylcarbamothioyl)-L-Cysteine

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Properties Simple | Detailed

Formula C11H14N2O2S2
IUPAC Name (2r)-2-amino-3-(benzylcarbamothioylsulfanyl)propanoic acid
Molecular Mass 270.371 g·mol−1
Heat of Formation -179.3 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 314.64 Å 3
Surface Area 295.44 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(benzylthiocarbamoylthio)propionic acid
  • (2r)-2-amino-3-[[(phenylmethylamino)-thioxomethyl]thio]propanoic acid
  • benzylisothiocyanate cysteine conjugate
  • l-cysteine, (phenylmethyl)carbamodithioate (ester)
  • s-(n-benzylthiocarbamoyl)-l-cysteine
  • s-(n-benzylthiocarbamoyl)cysteine
CAS Number(s)
  • 53329-91-2
  • 35446-36-7
InChIKey RSTSYGXUDMJEFP-VIFPVBQESA-N
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