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Molecule record

1-thiophen-3-ylethanone

C6H6OS

126.18 g/mol

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Molecular properties

Formula
C6H6OS
Molar mass
126.18 g·mol−1
Exact mass
126.0139 Da
4
PubChem CID
15116

Functional groups

Alkane / alkyl carbon
Ketone

Physical properties

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

Common names and synonyms

  • 1-(3-Thienyl)ethanone
  • 1-(thiophen-3-yl)ethan-1-one
  • 1-thien-3-ylethanone
  • 1468-83-3
  • 3-ACETYLTHIOPHENE
  • 3-Acetothienone
  • 3-Acetylthiopene
  • 3-acetyl-thiophene
Show all 24 synonyms
  • AI-942/40192066
  • AM84424
  • CS-W007361
  • EINECS 215-996-4
  • Ethanone, 1-(3-thienyl)-
  • F0001-0524
  • Ketone, methyl
  • Ketone, methyl 3-thienyl
  • MFCD00005468
  • Methyl 3-thienyl ketone
  • RefChem:815644
  • SCHEMBL10425
  • STK503657
  • UNII-XB5SQX2RBW
  • XB5SQX2RBW
  • Z513734012

Structure identifiers

Canonical SMILES
CC(=O)c1ccsc1
Isomeric SMILES
CC(=O)C1=CSC=C1
InChI
InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
PubChem CID
15116

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 1-thiophen-3-ylethanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-thiophen-3-ylethanone; 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