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Home/Compounds/CAS 5381-20-4
Formula C9H6OSMW 162.21Research-use catalog entryCOA/SDS by request

1-Benzothiophene-3-carbaldehyde

CAS Number: 5381-20-4

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Loading RDKit molecule structure...
InChIKey: WDJLPQCBTBZTRH-UHFFFAOYSA-NC9H6OS | MW 162.21

Chemical Absolute Identifiers

CAS Number

5381-20-4

PubChem CID

227328

Molecular Formula

C9H6OS

Molecular Weight

162.21 g/mol

Exact Mass

162.013936

InChIKey

WDJLPQCBTBZTRH-UHFFFAOYSA-N

SMILES String

C1=CC=C2C(=C1)C(=CS2)C=O

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

1-Benzothiophene-3-carbaldehyde (CAS 5381-20-4) is listed in the Advanced Chemicals portfolio, with molecular formula C9H6OS and molecular weight 162. 21 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Cytochrome P450 2A6 (Homo sapiens) — 3 assays; Sodium- and chloride-dependent GABA transporter 1 (Mus musculus) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cytochrome P450 2A6

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 7.3

Experimental evidence source: ChEMBL

Sodium- and chloride-dependent GABA transporter 1

Mus musculus · SINGLE PROTEIN · 3 qualifying assays · 3 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

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PPE

Respiratory protection if needed

First Aid

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Stability / Reactivity

  • Reactivity and stability.
  • Carbon monoxide, carbon dioxide, sulfur oxides.

Disposal

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Fire Fighting

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Accidental Release

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

1-Benzothiophene-3-carbaldehyde

Names & Synonyms

Benzo[b]thiophene-3-carboxaldehydeBenzo(b)thiophene-3-carboxaldehydebenzo[b]thiophene-3-carbaldehyde3-Formylbenzo[b]thiophene3-Formylbenzothiophen
Show all synonyms
3-formylbenzothiophene3-Benzothiophenecarboxaldehydebenzo[b]thiophene-3-aldehyde1-benzothiophene 3-carbaldehydebenzo[b]thiophen-3-carbaldehydebenzo[b]thiophen-3-carboxaldehydebenzo[d]thiophen-3-carboxaldehydeB4086
External Identifiers
EC NUMBER: 611-051-9DSSTOX SUBSTANCE ID: DTXSID70280832CHEMBL ID: CHEMBL596015UNII: 88C6MH2ME3WIKIDATA ID: Q72440007Thianaphthene-3-carboxaldehydebenzothiophene-3-carbaldehydethianapthene-3-carboxaldehydebenzothiophene-3-carboxaldehyde
Experimental Spectrum References
13C NMR Spectra — Sigma-Aldrich Co. LLC.1H NMR Spectra — Sigma-Aldrich Co. LLC.ATR-IR SpectraFTIR Spectra
Literature & Patent References
DOI 10.1016/j.bmc.2019.02.015Screening oxime libraries by means of mass spectrometry (MS) binding assays: Identification of new highly potent inhibitors to optimized inhibitors γ-aminobutyric acid transporter 1.DOI 10.1016/j.bmc.2019.05.001Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1).PMID 30777661Screening oxime libraries by means of mass spectrometry (MS) binding assays: Identification of new highly potent inhibitors to optimized inhibitors γ-aminobutyric acid transporter 1.PMID 31097402Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1).DOI 10.1021/acs.jmedchem.8b01602Novel Allosteric Ligands of γ-Aminobutyric Acid Transporter 1 (GAT1) by MS Based Screening of Pseudostatic Hydrazone Libraries.PMID 30376325Novel Allosteric Ligands of γ-Aminobutyric Acid Transporter 1 (GAT1) by MS Based Screening of Pseudostatic Hydrazone Libraries.DOI 10.1016/j.bmc.2011.09.054Identification of novel CYP2A6 inhibitors by virtual screening.PMID 22019468Identification of novel CYP2A6 inhibitors by virtual screening.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

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What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

5-Chloro-1-benzothiophene-3-carbaldehydeCAS 16296-68-7
5-Bromo-1-benzothiophene-3-carbaldehydeCAS 16296-72-3
6-Bromo-1-benzothiophene-3-carbaldehydeCAS 19075-53-7
2-Methyl-1-benzothiophene-3-carbaldehydeCAS 30446-99-2
3-Bromo-1-benzothiophene-2-carbaldehydeCAS 10135-00-9

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 16296-68-75-Chloro-1-benzothiophene-3-carbaldehydeCAS 16296-72-35-Bromo-1-benzothiophene-3-carbaldehydeCAS 19075-53-76-Bromo-1-benzothiophene-3-carbaldehydeCAS 30446-99-22-Methyl-1-benzothiophene-3-carbaldehydeCAS 10135-00-93-Bromo-1-benzothiophene-2-carbaldehydeCAS 1003-29-8Pyrrole-2-carboxaldehydeCAS 123-08-04-HydroxybenzaldehydeCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 5381-20-4

What are the key identifiers for 1-Benzothiophene-3-carbaldehyde (CAS 5381-20-4)?

1-Benzothiophene-3-carbaldehyde is identified by CAS 5381-20-4, with molecular formula C9H6OS, molecular weight 162.21, InChIKey WDJLPQCBTBZTRH-UHFFFAOYSA-N.

Does CAS 5381-20-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 2A6, Sodium- and chloride-dependent GABA transporter 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 5381-20-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 1-Benzothiophene-3-carbaldehyde?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 5381-20-4 available for quotation?

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