1-Iodo-4-Isothiocyanatobenzene

Molecule SVG Image

Properties Simple | Detailed

Formula C7H4INS
IUPAC Name 1-iodo-4-isothiocyanato-benzene
Molecular Mass 261.083 g·mol−1
Heat of Formation 327.5 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 204.35 Å 3
Surface Area 204.01 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-iodophenyl isothiocyanate
  • 4-iodophenylisothiocyanate
  • 4-ipitc
  • benzene, 1-iodo-4-isothiocyanato-
  • s 00350
CAS Number(s)
  • 2059-76-9
InChIKey SNLGBRZZFRSXHA-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H S C N