O-[(2S)-2-Amino-3-Phenylpropyl] Phenylcarbamothioate

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Properties Simple | Detailed

Formula C16H18N2OS
IUPAC Name o-[(2s)-2-amino-3-phenyl-propyl] n-phenylcarbamothioate
Molecular Mass 286.392 g·mol−1
Heat of Formation 74.4 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 355.28 Å 3
Surface Area 291.86 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • (phenylamino)methanethioic acid o-[(2s)-2-amino-3-phenyl-propyl] ester
  • (phenylamino)methanethioic acid o-[(2s)-2-amino-3-phenylpropyl] ester
  • 1-amino-1-benzyl-2-mercaptoethane-s-phenylcarbamate
  • carbamothioic acid, phenyl-, s-(2-amino-3-phenylpropyl) ester
  • carbaphethiol
  • o-[(2s)-2-amino-3-phenyl-propyl] (phenylamino)methanethioate
  • o-[(2s)-2-amino-3-phenylpropyl] (phenylamino)methanethioate
CAS Number(s)
  • 118104-82-8
InChIKey RNXJOHPVZIKWLE-AWEZNQCLSA-N
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