Molecular properties
- Formula
- C12H7NO2S
- Molar mass
- 229.26 g·mol−1
- Exact mass
- 229.0197 Da
- 10
- PubChem CID
- 95072
Molecule record
2-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
- 2-Nitrodibenzo[b,d]thiophene
- 2-Nitrodibenzo[b,d]thiophene #
- 6639-36-7
- AKOS016010417
- AO-436/00494004
- CCRIS 8629
- DB-054922
- DTXCID80139100
Show all 19 synonyms
- DTXSID00216609
- Dibenzothiophene, 2-nitro-
- EK8F3V9FW3
- GXLYVLHWXVRVKI-UHFFFAOYSA-N
- MFCD00092341
- NSC-16062
- NSC16062
- RefChem:88721
- SCHEMBL5115377
- UNII-EK8F3V9FW3
- WLZ5384
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1ccc2sc3ccccc3c2c1
- Isomeric SMILES
- C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C12H7NO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H
- InChIKey
- GXLYVLHWXVRVKI-UHFFFAOYSA-N
- PubChem CID
- 95072
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 2-nitrodibenzothiophene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-nitrodibenzothiophene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.