S-Methyl Methyl(Phenylacetyl)Carbamothioate

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Properties Simple | Detailed

Formula C11H13NO2S
IUPAC Name s-methyl n-methyl-n-(2-phenylacetyl)carbamothioate
Molecular Mass 223.291 g·mol−1
Heat of Formation -273.5 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 265.08 Å 3
Surface Area 251.9 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • [methyl-(1-oxo-2-phenylethyl)amino]methanethioic acid s-methyl ester
  • [methyl-(2-phenylacetyl)amino]methanethioic acid s-methyl ester
  • s-methyl (methyl-(2-phenylethanoyl)amino)methanethioate
  • s-methyl [methyl-(2-phenylacetyl)amino]methanethioate
InChIKey VVFAISRLJSZZEB-UHFFFAOYSA-N
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