Benzyl Thiocyanate

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Properties Simple | Detailed

Formula C8H7NS
IUPAC Name benzyl thiocyanate
Molecular Mass 149.213 g·mol−1
Heat of Formation 225.4 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 184.99 Å 3
Surface Area 186.94 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.-thiocyanatotoluene
  • aj-087/40225997
  • benzyl rhodanide
  • benzyl-thiocyanate
  • benzylrhodonid
  • benzylthiocyanate
  • phenylmethyl thiocyanate
  • solvat 14
  • thiocyanic acid, benzyl ester
  • toluene, .alpha.-thiocyanato-
  • tropeolin
CAS Number(s)
  • 3012-37-1
InChIKey ABNDFSOIUFLJAH-UHFFFAOYSA-N
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Elements H S C N