4-(Methylsulfanyl)Phenyl Isocyanide

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Properties Simple | Detailed

Formula C8H7NS
IUPAC Name 1-isocyano-4-methylsulfanyl-benzene
Molecular Mass 149.213 g·mol−1
Heat of Formation 283.3 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 189.65 Å 3
Surface Area 190.53 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isocyano-4-(methylthio)benzene
InChIKey YXRRUVNTLJYSHX-UHFFFAOYSA-N
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Elements H S C N