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Molecule record

4-chloro-1,3-benzothiazole

C7H4ClNS

169.64 g/mol

Loading structure

Molecular properties

Formula
C7H4ClNS
Molar mass
169.64 g·mol−1
Exact mass
168.9753 Da
6
PubChem CID
10821026

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 3048-45-1
  • 4-CHLOROBENZO[D]THIAZOLE
  • 4-chlorobenzothiazole
  • AKOS006306533
  • AMY23103
  • BENZOTHIAZOLE, 4-CHLORO-
  • Benzothiazole, 4-chloro- (7CI,8CI,9CI)
  • CS-0019044
Show all 23 synonyms
  • DB-028823
  • DTXCID70396124
  • DTXSID70445303
  • EN300-160524
  • F076309
  • FS-2801
  • MB0904
  • MB09046
  • MFCD11040158
  • RefChem:292107
  • SCHEMBL2595588
  • SCHEMBL558555
  • SCHEMBL926998
  • SY034410
  • Z1198305220

Structure identifiers

Canonical SMILES
Clc1cccc2scnc12
Isomeric SMILES
C1=CC2=C(C(=C1)Cl)N=CS2
InChI
InChI=1S/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
InChIKey
IFEPGHPDQJOYGG-UHFFFAOYSA-N
PubChem CID
10821026

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-chloro-1,3-benzothiazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-chloro-1,3-benzothiazole; 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