Thiophenol

Molecule SVG Image

Properties Simple | Detailed

Formula C6H6S
IUPAC Name benzenethiol
Molecular Mass 110.177 g·mol−1
Heat of Formation 100.1 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 136.71 Å 3
Surface Area 143.93 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry Cs
Synonyms
  • benzene, mercapto-
  • mercaptobenzene
  • phenol, thio-
  • phenyl mercaptan
  • phenyl mercaptan [un2337] [poison]
  • phenylmercaptan
  • phenylthiol
CAS Number(s)
  • 108-98-5
  • 16528-57-7
InChIKey RMVRSNDYEFQCLF-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S