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Molecule record

3-chlorodibenzothiophene

C12H7ClS

218.71 g/mol

Loading structure

Molecular properties

Formula
C12H7ClS
Molar mass
218.71 g·mol−1
Exact mass
217.9957 Da
9
PubChem CID
527135

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 109014-35-9
  • 3-Chloro-dibenzothiophene
  • 3-Chlorodibenzo[b,d]thiophene
  • AS-97090
  • DB-410984
  • H60702
  • MFCD29919356
  • OTHHPAMDVKDMFM-UHFFFAOYSA-N
Show all 11 synonyms
  • SCHEMBL15318107
  • SCHEMBL31012019
  • SY416175

Structure identifiers

Canonical SMILES
Clc1ccc2c(c1)sc1ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C12H7ClS/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H
InChIKey
OTHHPAMDVKDMFM-UHFFFAOYSA-N
PubChem CID
527135

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 3-chlorodibenzothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-chlorodibenzothiophene; not experimental data.

Sources

Molecule identity

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

PubChem(link only)
Open source record