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Molecule record

3-methyldibenzothiophene

C13H10S

198.29 g/mol

Loading structure

Molecular properties

Formula
C13H10S
Molar mass
198.29 g·mol−1
Exact mass
198.0503 Da
9
PubChem CID
27940

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 16587-52-3
  • 3-Methyldibenzo[b,d]thiophene
  • AKOS006273358
  • DTXCID1090537
  • DTXSID30168046
  • Dibenzothiophene, 3-methyl-
  • NS00076521
  • RefChem:94879
Show all 16 synonyms
  • SCHEMBL15845463
  • SCHEMBL21295931
  • SCHEMBL21295974
  • SCHEMBL21300580
  • SCHEMBL31677946
  • SCHEMBL808361
  • SCHEMBL9146145
  • URUCEYZTJIJMLX-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
Cc1ccc2c(c1)sc1ccccc12
Isomeric SMILES
CC1=CC2=C(C=C1)C3=CC=CC=C3S2
InChI
InChI=1S/C13H10S/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3
InChIKey
URUCEYZTJIJMLX-UHFFFAOYSA-N
PubChem CID
27940

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-methyldibenzothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-methyldibenzothiophene; 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