S-[(3-Phenylpropyl)Carbamothioyl]-L-Cysteine

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Properties Simple | Detailed

Formula C13H18N2O2S2
IUPAC Name (2r)-2-amino-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid
Molecular Mass 298.424 g·mol−1
Heat of Formation -269.4 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 357.88 Å 3
Surface Area 282.89 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid
  • (2r)-2-amino-3-(3-phenylpropylthiocarbamoylthio)propionic acid
  • (2r)-2-amino-3-[[(3-phenylpropylamino)-thioxomethyl]thio]propanoic acid
  • l-cysteine, (3-phenylpropyl)carbamodithioate (ester)
  • pptc-cysteine
  • s-(n-(3-phenylpropyl)(thiocarbamoyl))-cysteine
  • s-(n-(3-phenylpropyl)(thiocarbamoyl))-l-cysteine
CAS Number(s)
  • 137915-13-0
InChIKey XMEUXBMTQJJHED-NSHDSACASA-N
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