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Molecule record

4-nitro-1,2-thiazole

C3H2N2O2S

130.13 g/mol

Loading structure

Molecular properties

Formula
C3H2N2O2S
Molar mass
130.13 g·mol−1
Exact mass
129.9837 Da
4
PubChem CID
13599

Functional groups

Nitro compound

Physical properties

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

Common names and synonyms

  • 4-Nitro-isothiazole
  • 4-Nitroisothiazole
  • 931-07-7
  • AAA93107
  • AKOS006276225
  • AS-38169
  • BRN 0907283
  • Boronicacid,B-(1,6-dihydro-6-oxo-5-pyridinyl)-
Show all 21 synonyms
  • CS-0095615
  • DTXCID90161755
  • DTXSID70239264
  • EN300-120959
  • F303353
  • FNXPAYVHLSTHQY-UHFFFAOYSA-N
  • ISOTHIAZOLE, 4-NITRO-
  • MFCD01716903
  • RefChem:295081
  • SCHEMBL10398917
  • SCHEMBL2042703
  • SCHEMBL2045617
  • SY147649

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cnsc1
Isomeric SMILES
C1=C(C=NS1)[N+](=O)[O-]
InChI
InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-8-2-3/h1-2H
InChIKey
FNXPAYVHLSTHQY-UHFFFAOYSA-N
PubChem CID
13599

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 4-nitro-1,2-thiazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitro-1,2-thiazole; 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