4-Chlorothiophenol

Molecule SVG Image

Properties Simple | Detailed

Formula C6H5ClS
IUPAC Name 4-chlorobenzenethiol
Molecular Mass 144.622 g·mol−1
Heat of Formation 58.3 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 159.77 Å 3
Surface Area 163.01 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-chloro-4-mercaptobenzene
  • 4-chlorophenyl mercaptan
  • 4-chlorophenylmercaptan
  • benzenethiol, 4-chloro-
  • benzenethiol, p-chloro-
  • p-chlorobenzenethiol
  • p-chlorophenylmercaptan
  • p-chlorothiophenol
  • p-chlorthiofenol
  • p-mercaptochlorobenzene
  • phenyl mercaptan, p-chloro-
CAS Number(s)
  • 106-54-7
InChIKey VZXOZSQDJJNBRC-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S Cl