Molecular properties
- Formula
- C12H7NO2S
- Molar mass
- 229.26 g·mol−1
- Exact mass
- 229.0197 Da
- 10
- PubChem CID
- 57412692
Molecule record
4-nitrodibenzothiophene
C12H7NO2S
229.26 g/mol
Loading structure
Functional groups
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 157555-18-5
- 4-nitrodibenzo[b,d]thiophene
- 6-nitro-8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
- SCHEMBL17985436
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1cccc2c1sc1ccccc12
- Isomeric SMILES
- C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C12H7NO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7H
- InChIKey
- UXUXFILOIWQNPG-UHFFFAOYSA-N
- PubChem CID
- 57412692
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-nitrodibenzothiophene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-nitrodibenzothiophene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.