[(2-Methylbenzoyl)Amino]Ethanethioic S-Acid

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Properties Simple | Detailed

Formula C10H11NO2S
IUPAC Name 2-[(2-methylbenzoyl)amino]ethanethioic s-acid
Molecular Mass 209.265 g·mol−1
Heat of Formation -262.9 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 248.42 Å 3
Surface Area 233.18 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2-methylbenzoyl)amino]ethanethioic s-acid
  • 2-[(2-methylbenzoyl)amino]thioacetic acid
  • 2-[(2-methylphenyl)carbonylamino]ethanethioic s-acid
  • 2-[[(2-methylphenyl)-oxomethyl]amino]ethanethioic s-acid
  • ethanethioic acid, (benzoylamino)-, o-methyl ester
  • methyl thionohippurate
  • n-benzoylglycine methylthio ester
  • nbgmte
CAS Number(s)
  • 2979-56-8
InChIKey JZMBKLDMLQKQMZ-UHFFFAOYSA-N
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