ChemArche
Sign inAccount

Molecule record

4-nitro-1,2,3-benzothiadiazole

C6H3N3O2S

181.18 g/mol

Loading structure

Molecular properties

Formula
C6H3N3O2S
Molar mass
181.18 g·mol−1
Exact mass
180.9946 Da
7
PubChem CID
21115722

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 4-nitrobenzothiadiazole
  • AKOS006372722
  • NS00047492
  • SCHEMBL666401
  • WEAQHTFUJJMQTO-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccc2snnc12
Isomeric SMILES
C1=CC(=C2C(=C1)SN=N2)[N+](=O)[O-]
InChI
InChI=1S/C6H3N3O2S/c10-9(11)4-2-1-3-5-6(4)7-8-12-5/h1-3H
InChIKey
WEAQHTFUJJMQTO-UHFFFAOYSA-N
PubChem CID
21115722

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-1,2,3-benzothiadiazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitro-1,2,3-benzothiadiazole; 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
4-nitro-1,2,3-benzothiadiazole - Formula, Structure | ChemArche