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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene -3-carboxylate - ≥97% , CAS No.4506-71-2
Synonyms
Benzoic acid,3,4-dichloro-, methyl ester | SMR000068930 | 2-Amino-3-ethoxycarbonyl-4,5-tetramethylenethiophene | HMS551F13 | J-640136 | {Benzo[b]thiophene-3-carboxylic} acid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester | 3-trimethylsilyl-1-propanol | Oprea1_
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Why this grade ≥97% 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
Benzoic acid, 3, 4-dichloro-, methyl ester | SMR000068930 | 2-Amino-3-ethoxycarbonyl-4, 5-tetramethylenethiophene | HMS551F13 | J-640136 | {Benzo[b]thiophene-3-carboxylic} acid, 2-amino-4, 5, 6, 7-tetrahydro-, ethyl ester | 3-trimethylsilyl-1-propanol | Oprea1_
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488185550 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185550 Canonical Smiles CCOC(=O)C1=C(SC2=C1CCCC2)N IUPAC Name ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate InChIKey CDYVTVLXEWMCHU-UHFFFAOYSA-N INCHI 1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3 Isomeric SMILES CCOC(=O)C1=C(SC2=C1CCCC2)N WGK Germany 3 Molecular Weight 225.31 Reaxy-Rn 1284763 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1284763&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 Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - 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 Sensitivity Hygroscopic Melt Point(°C) 115 °C Molecular Weight 225.310 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 225.082 Da Monoisotopic Mass 225.082 Da Topological Polar Surface Area 80.600 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 247.000 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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