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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate - ≥98% , CAS No.96334-44-0
Synonyms
2-Amino-7-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester | F11133 | KHNVFGZAADIYSH-UHFFFAOYSA-N | CCG-125017 | ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | SCHEMBL3091939 | nzo[b]thiophene-3-carboxylic ac
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-Amino-7-oxo-4, 5, 6, 7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester | F11133 | KHNVFGZAADIYSH-UHFFFAOYSA-N | CCG-125017 | ethyl 2-amino-7-oxo-4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate | SCHEMBL3091939 | nzo[b]thiophene-3-carboxylic ac
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CCOC(=O)C1=C(SC2=C1CCCC2=O)N IUPAC Name ethyl 2-amino-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate InChIKey KHNVFGZAADIYSH-UHFFFAOYSA-N INCHI 1S/C11H13NO3S/c1-2-15-11(14)8-6-4-3-5-7(13)9(6)16-10(8)12/h2-5,12H2,1H3 Isomeric SMILES CCOC(=O)C1=C(SC2=C1CCCC2=O)N Molecular Weight 239.3 Reaxy-Rn 4442462 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4442462&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Thiophenes Subclass Aminothiophenes Intermediate Tree Nodes 2-aminothiophenes Direct Parent 3,4,5-trisubstituted-2-aminothiophenes Alternative Parents Thiophene carboxylic acids and derivatives Aryl alkyl ketones Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Vinylogous amide - Heteroaromatic compound - Ketone - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 239.290 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 239.062 Da Monoisotopic Mass 239.062 Da Topological Polar Surface Area 97.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 308.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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