4-(Isothiocyanatomethyl)Phenol

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Properties Simple | Detailed

Formula C8H7NOS
IUPAC Name 4-(isothiocyanatomethyl)phenol
Molecular Mass 165.212 g·mol−1
Heat of Formation 59.0 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 188.5 Å 3
Surface Area 189.14 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxybenzyl isothiocyanate
  • para-hydroxybenzyl isothiocyanate
  • phenol, 4-(isothiocyanatomethyl)-
CAS Number(s)
  • 2086-86-4
InChIKey ATKWJXUJUNLTFU-UHFFFAOYSA-N
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