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Home/Compounds/CAS 4651-91-6
Formula C9H10N2SMW 178.26Research-use catalog entryCOA/SDS by request

2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile

CAS Number: 4651-91-6

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Loading RDKit molecule structure...
InChIKey: ADHVMGAFAKSNOM-UHFFFAOYSA-NC9H10N2S | MW 178.26

Chemical Absolute Identifiers

CAS Number

4651-91-6

PubChem CID

78382

Molecular Formula

C9H10N2S

Molecular Weight

178.26 g/mol

Exact Mass

178.05647

InChIKey

ADHVMGAFAKSNOM-UHFFFAOYSA-N

IUPAC Name

2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES String

C1CCC2=C(C1)C(=C(S2)N)C#N

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

2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile (CAS 4651-91-6) is listed in the Advanced Chemicals portfolio, with molecular formula C9H10N2S and molecular weight 178. 26 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; structure-derived tags include nitrogen-containing heterocycle.

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: Nucleosome-remodeling factor subunit BPTF (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Nucleosome-remodeling factor subunit BPTF

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 3.89

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

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PPE

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile

Names & Synonyms

2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile2-amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiopheneBenzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-2-amino-3-cyano-4,5,6,7-tetrahydrobenzo(b)thiophene
Show all synonyms
Cambridge id 5130181AE-641/011500012-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl cyanide2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile #
External Identifiers
EC NUMBER: 225-085-3DSSTOX SUBSTANCE ID: DTXSID30196864CHEMBL ID: CHEMBL1632047WIKIDATA ID: Q83069866
Experimental Spectrum References
13C NMR Spectra1H NMR SpectraATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR SpectraRaman Spectra — Bio-Rad Laboratories, Inc.UV-VIS Spectra
Literature & Patent References
DOI 10.1016/j.ejmech.2023.115223Computer-Aided drug design of new 2-amino-thiophene derivatives as anti-leishmanial agents.DOI 10.1016/j.ejmech.2023.115698Recent advances in the development of inhibitors targeting KRAS-G12C and its related pathways.DOI 10.1021/acsmedchemlett.3c00343Fragment-Based NMR Screening of the BPTF PHD Finger Methyl Lysine Reader Leads to the First Small-Molecule Inhibitors.PMID 36848847Computer-Aided drug design of new 2-amino-thiophene derivatives as anti-leishmanial agents.PMID 37542991Recent advances in the development of inhibitors targeting KRAS-G12C and its related pathways.PMID 37849548Fragment-Based NMR Screening of the BPTF PHD Finger Methyl Lysine Reader Leads to the First Small-Molecule Inhibitors.DOI 10.1016/j.ejmech.2022.114502Recent contribution of medicinally active 2-aminothiophenes: A privileged scaffold for drug discovery.DOI 10.1021/acs.jmedchem.2c01120Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS<sup>G12C</sup> Inhibitor.

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

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Availability and lead time review: Confirmed by RFQ

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Text Reference Cues

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Non-public related references

2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrileCAS 42225-04-7
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideCAS 4815-28-5
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acidCAS 5936-58-3
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propionamideCAS 61627-58-5
Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateCAS 108354-78-5

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 42225-04-72-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrileCAS 4815-28-52-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideCAS 5936-58-32-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acidCAS 61627-58-5N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propionamideCAS 108354-78-5Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateCAS 4354-73-82-CyclohexylidenemalononitrileCAS 1809-20-7Dipropan-2-yl hydrogen phosphiteCAS 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 4651-91-6

What are the key identifiers for 2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile (CAS 4651-91-6)?

2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile is identified by CAS 4651-91-6, with molecular formula C9H10N2S, molecular weight 178.26, InChIKey ADHVMGAFAKSNOM-UHFFFAOYSA-N.

Does CAS 4651-91-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Nucleosome-remodeling factor subunit BPTF. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 4651-91-6?

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