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Molecule record

2-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
46371

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 2-Chlorobenzo[b]thiophene
  • 2-chlorobenzothiophene
  • 64036-44-8
  • 7342-85-0
  • AKOS006277065
  • BENZO(b)THIOPHENE, CHLORO-
  • Benzo[b]thiophene, 2-chloro-
  • DTXCID70136507
Show all 20 synonyms
  • DTXSID70214016
  • H66583
  • HS-4293
  • MFCD01663567
  • RefChem:326196
  • SCHEMBL218556
  • SCHEMBL29604746
  • SCHEMBL3816650
  • SCHEMBL4308312
  • SCHEMBL686527
  • SCHEMBL9692951
  • Thianaphthene, chloro-

Structure identifiers

Canonical SMILES
Clc1cc2ccccc2s1
Isomeric SMILES
C1=CC=C2C(=C1)C=C(S2)Cl
InChI
InChI=1S/C8H5ClS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKey
CPYLFALFYKCLRI-UHFFFAOYSA-N
PubChem CID
46371

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-chloro-1-benzothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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