4-(Methylmercapto)Aniline

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Properties Simple | Detailed

Formula C7H9NS
IUPAC Name 4-methylsulfanylaniline
Molecular Mass 139.218 g·mol−1
Heat of Formation 80.4 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 174.72 Å 3
Surface Area 176.03 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(methylthio)aniline
  • 4-(methylthio)benzenamine
  • 4-amino thioanisole
  • 4-aminothioanisole
  • 4-methylmercaptoaniline
  • [4-(methylthio)phenyl]amine
  • aniline, p-(methylthio)-
  • benzenamine, 4-(methylthio)-
  • p-(methylthio)aniline
  • p-aminophenyl methyl sulfide
  • p-aminothioanisole
  • p-thioanisidine
  • p-thiomethoxyaniline
  • thioanisidine
  • y11061
CAS Number(s)
  • 104-96-1
InChIKey YKFROQCFVXOUPW-UHFFFAOYSA-N
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