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Molecule record

3-chloro-1-benzothiophene

C8H5ClS

168.65 g/mol

Loading structure

Molecular properties

Formula
C8H5ClS
Molar mass
168.65 g·mol−1
Exact mass
167.9800 Da
6
PubChem CID
96234

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 3-Chlorobenzothiophene
  • 3-chloro-benzo[b]thiophene
  • 3-chlorobenzo[b]thiophene
  • 7342-86-1
  • 856-199-7
  • AI3-18362
  • AKOS006291612
  • BS-24385
Show all 24 synonyms
  • Benzo[b]thiophene, 3-chloro-
  • CS-0204746
  • DB-304485
  • DTXSID40223655
  • HAA34286
  • InChI=1/C8H5ClS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5
  • MFCD08361765
  • NSC-60757
  • NSC60757
  • RefChem:499616
  • SCHEMBL29506693
  • SCHEMBL4065377
  • SCHEMBL546825
  • SCHEMBL66254
  • SE587G4DK7
  • UNII-SE587G4DK7

Structure identifiers

Canonical SMILES
Clc1csc2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=CS2)Cl
InChI
InChI=1S/C8H5ClS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChIKey
VURMGNDSRHGHQN-UHFFFAOYSA-N
PubChem CID
96234

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-chloro-1-benzothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-chloro-1-benzothiophene; 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