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Molecule record

3-nitrothiophene

C4H3NO2S

129.14 g/mol

Loading structure

Molecular properties

Formula
C4H3NO2S
Molar mass
129.14 g·mol−1
Exact mass
128.9884 Da
4
PubChem CID
69974

Functional groups

Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 212-502-9
  • 3-nitro-thiophene
  • 5-17-01-00313 (Beilstein Handbook Reference)
  • 5UYG7DDL72
  • 822-84-4
  • AI-942/25121011
  • AKOS000282449
  • BRN 0110656
Show all 22 synonyms
  • CS-0456009
  • DB-083110
  • DTXCID40154112
  • DTXSID10231621
  • EINECS 212-502-9
  • InChI=1/C4H3NO2S/c6-5(7)4-1-2-8-3-4/h1-3
  • NS00038182
  • RefChem:95063
  • SBB085734
  • SCHEMBL449249
  • SCHEMBL451049
  • SCHEMBL451882
  • SCHEMBL827990
  • Thiophene, 3-nitro-

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccsc1
Isomeric SMILES
C1=CSC=C1[N+](=O)[O-]
InChI
InChI=1S/C4H3NO2S/c6-5(7)4-1-2-8-3-4/h1-3H
InChIKey
SIPCFXFCVTUAID-UHFFFAOYSA-N
PubChem CID
69974

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-nitrothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-nitrothiophene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record