O-[2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Ethyl] (4-Chlorophenyl)Carbamothioate

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Formula C17H13ClN2O3S
IUPAC Name o-[2-(1,3-dioxoisoindolin-2-yl)ethyl] n-(4-chlorophenyl)carbamothioate
Molecular Mass 360.815 g·mol−1
Heat of Formation -229.9 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 385.28 Å 3
Surface Area 302.3 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
Synonyms
  • [(4-chlorophenyl)amino]methanethioic acid o-[2-(1,3-diketoisoindolin-2-yl)ethyl] ester
  • [(4-chlorophenyl)amino]methanethioic acid o-[2-(1,3-dioxo-2-isoindolinyl)ethyl] ester
  • carbamothioic acid, (4-chlorophenyl)-, o-[2-(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)ethyl] ester
  • o-[2-(1,3-dioxoisoindol-2-yl)ethyl] [(4-chlorophenyl)amino]methanethioate
  • o-[2-(1,3-dioxoisoindolin-2-yl)ethyl] [(4-chlorophenyl)amino]methanethioate
InChIKey BWRRXOIACQYNEK-UHFFFAOYSA-N
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