1-Isothiocyanato-2-Methylbenzene

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Properties Simple | Detailed

Formula C8H7NS
IUPAC Name 1-isothiocyanato-2-methyl-benzene
Molecular Mass 149.213 g·mol−1
Heat of Formation 213.8 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 181.9 Å 3
Surface Area 184.97 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-tolyl isothiocyanate
  • benzene, 1-isothiocyanato-2-methyl-
  • isothiocyanic acid, o-tolyl ester
  • o-tolyl isothiocyanate
CAS Number(s)
  • 614-69-7
InChIKey JYKYYPPZLPVIBY-UHFFFAOYSA-N
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Elements H S C N