Tosmic

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Properties Simple | Detailed

Formula C9H10NO2S
IUPAC Name 1-(isocyanomethylsulfonyl)-4-methyl-benzene
Molecular Mass 196.246 g·mol−1
Heat of Formation -53.7 ± 16.7 kJ·mol−1
Dipole Moment 8.07 ± 1.08 D
Volume 229.61 Å 3
Surface Area 221.52 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (methylidyne-.lambda.~5~-azanyl)methyl 4-methylphenyl sulfone
  • (p-toluenesulphonyl)methyl isocyanide
  • (p-tolylsulfonyl)methyl isocyanide
  • 1-(isocyanomethylsulfonyl)-4-methylbenzene
  • 4-toluenesulfonylmethyl isocyanide
  • benzene, 1-((isocyanomethyl)sulfonyl)-4-methyl-
  • p-toluenesulfonylmethyl isocyanide
CAS Number(s)
  • 36635-61-7
InChIKey CFOAUYCPAUGDFF-UHFFFAOYSA-N
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