Molecular properties
- Formula
- C12H7NO2S
- Molar mass
- 229.26 g·mol−1
- Exact mass
- 229.0197 Da
- 10
- PubChem CID
- 151997
Molecule record
3-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-Nitro-9-thiafluorene, 4-Nitro-[1,1'-biphenyl]-2,2-diyl sulphide
- 3-nitrodibenzo[b,d]thiophene
- 94764-55-3
- CCRIS 8630
- DB-411243
- DTXCID30164088
- DTXSID00241597
- Dibenzothiophene, 3-nitro-
Show all 11 synonyms
- RefChem:337264
- SCHEMBL3083218
- ZPEZGWPZHITXSF-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1ccc2c(c1)sc1ccccc12
- Isomeric SMILES
- C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C12H7NO2S/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H
- InChIKey
- ZPEZGWPZHITXSF-UHFFFAOYSA-N
- PubChem CID
- 151997
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 3-nitrodibenzothiophene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-nitrodibenzothiophene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.