Molecular properties
- Formula
- C8H5NO2S
- Molar mass
- 179.20 g·mol−1
- Exact mass
- 179.0041 Da
- 7
- PubChem CID
- 11830017
Molecule record
2-nitro-1-benzothiophene
C8H5NO2S
179.20 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
- 10133-33-2
- 2-nitrobenzothiophene
- Benzo[b]thiophene, 2-nitro-
- DTXSID50474035
- SCHEMBL28348013
- SCHEMBL848125
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1cc2ccccc2s1
- Isomeric SMILES
- C1=CC=C2C(=C1)C=C(S2)[N+](=O)[O-]
- InChI
- InChI=1S/C8H5NO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
- InChIKey
- OEEJLOZQSKNWQQ-UHFFFAOYSA-N
- PubChem CID
- 11830017
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-nitro-1-benzothiophene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-nitro-1-benzothiophene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.