Molecular properties
- Formula
- C13H10S
- Molar mass
- 198.29 g·mol−1
- Exact mass
- 198.0503 Da
- 9
- PubChem CID
- 30364
Molecule record
4-methyldibenzothiophene
C13H10S
198.29 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 4-Methyldibenzo[b,d]thiophene
- 4-Methyldibenzothiophene, 96%
- 4-methyl-dibenzothiophene
- 6-METHYL-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE
- 6-methyl-8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene
- 7372-88-5
- AS-59813
- BIDD:GT0744
Show all 24 synonyms
- DTXCID101022165
- DTXSID00880809
- Dibenzothiophene, 1-methyl-
- Dibenzothiophene, 4-methyl-
- E85522
- MFCD00216258
- RefChem:1071160
- SCHEMBL21295650
- SCHEMBL21295684
- SCHEMBL21295748
- SCHEMBL21295771
- SCHEMBL21295868
- SCHEMBL21296123
- SCHEMBL29388065
- SCHEMBL731864
- dibenzo[b,d]thiophene, 4-methyl-
Structure identifiers
- Canonical SMILES
- Cc1cccc2c1sc1ccccc12
- Isomeric SMILES
- CC1=C2C(=CC=C1)C3=CC=CC=C3S2
- InChI
- InChI=1S/C13H10S/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3
- InChIKey
- NICUQYHIOMMFGV-UHFFFAOYSA-N
- PubChem CID
- 30364
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-methyldibenzothiophene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-methyldibenzothiophene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.