Molecule record

4-methoxydibenzothiophene

C13H10OS

214.29 g/mol

Loading structure

Molecular properties

Formula
C13H10OS
Molar mass
214.29 g·mol−1
Exact mass
214.0452 Da
9
PubChem CID
458354

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 24444-74-4
  • 4-Methoxy-dibenzothiophene
  • 4-methoxydibenzo[b,d]thiophene
  • CS-0196400
  • DB-332409
  • E89396
  • InChI=1/C13H10OS/c1-14-11-7-4-6-10-9-5-2-3-8-12(9)15-13(10)11/h2-8H,1H
  • MFCD00092677
Show all 12 synonyms
  • SCHEMBL3295801
  • SY282553
  • XISNFPLKXUIFRL-UHFFFAOYSA-N
  • dibenzo[b,d]thiophene, 4-methoxy-

Structure identifiers

Canonical SMILES
COc1cccc2c1sc1ccccc12
Isomeric SMILES
COC1=CC=CC2=C1SC3=CC=CC=C23
InChI
InChI=1S/C13H10OS/c1-14-11-7-4-6-10-9-5-2-3-8-12(9)15-13(10)11/h2-8H,1H3
InChIKey
XISNFPLKXUIFRL-UHFFFAOYSA-N
PubChem CID
458354

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-methoxydibenzothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-methoxydibenzothiophene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record