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Molecule record

2-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
11866

Functional groups

Nitro compound

Physical properties

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

Common names and synonyms

  • 2-Nitrothiofene
  • 2-Nitrothiophene (Technical Grade)
  • 2-Nitrothiophene, tech.
  • 2-nitro-thiophene
  • 210-190-9
  • 609-40-5
  • 609-45-0
  • AI3-16618
Show all 24 synonyms
  • BIDD:GT0164
  • DTXCID0042903
  • DTXSID9060570
  • EINECS 210-190-9
  • JIZRGGU
  • MFCD00005425
  • NSC 5371
  • NSC5371
  • RefChem:897890
  • SCHEMBL136001
  • Thiophene, 2-nitro-
  • WLN: T5SJ BNW
  • WW8M82QUP5
  • alpha-Nitrothiophene
  • nitrothiophene
  • o-Nitrothiophene

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccs1
Isomeric SMILES
C1=CSC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H
InChIKey
JIZRGGUCOQKGQD-UHFFFAOYSA-N
PubChem CID
11866

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 2-nitrothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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
2-nitrothiophene - Formula, Structure | ChemArche