Thioindigo

Molecule SVG Image

Properties Simple | Detailed

Formula C16H8O2S2
IUPAC Name (2e)-2-(3-oxobenzothiophen-2-ylidene)benzothiophen-3-one
Molecular Mass 296.363 g·mol−1
Heat of Formation 53.0 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 310.25 Å 3
Surface Area 282.12 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C2h
Synonyms
  • (2e)-2-(3-ketobenzothiophen-2-ylidene)benzothiophen-3-one
  • (2e)-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
  • (2e)-2-(3-oxo-2-benzothiophenylidene)-3-benzothiophenone
  • (2e)-2-(3-oxobenzothiophen-2-ylidene)benzothiophen-3-one
  • [.delta.2,2'(3h,3'h)-bibenzo[b]thiophene]-3,3'-dione
  • benzo[b]thiophen-3(2h)-one, 2-(3-oxobenzo[b]thien-2(3h)-ylidene)-
InChIKey JOUDBUYBGJYFFP-FOCLMDBBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O