Molecular properties
- Formula
- C9H8OS
- Molar mass
- 164.23 g·mol−1
- Exact mass
- 164.0296 Da
- 6
- PubChem CID
- 12623869
Molecule record
4-methoxy-1-benzothiophene
C9H8OS
164.23 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ether
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3781-90-6
- 4-MBA cpd
- 4-methoxy-benzo(b)thiophene
- 4-methoxybenzo[b]thiophene
- 4-methoxybenzothiophene
- AKOS025395740
- AS-49535
- CS-0099933
Show all 23 synonyms
- DA-19840
- DAA78190
- DTXSID40504754
- EN300-805093
- F501636
- I11382
- MFCD18452497
- RefChem:293724
- SCHEMBL4302887
- SCHEMBL4302906
- SCHEMBL4463054
- SCHEMBL827010
- SY244636
- YPOBRGLUEDOCKJ-UHFFFAOYSA-N
- benzo[b]thiophene,4-methoxy-
Structure identifiers
- Canonical SMILES
- COc1cccc2sccc12
- Isomeric SMILES
- COC1=C2C=CSC2=CC=C1
- InChI
- InChI=1S/C9H8OS/c1-10-8-3-2-4-9-7(8)5-6-11-9/h2-6H,1H3
- InChIKey
- YPOBRGLUEDOCKJ-UHFFFAOYSA-N
- PubChem CID
- 12623869
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-methoxy-1-benzothiophene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-methoxy-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.