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· · COA & SDS available for every product · Same-day shipping on in-stock items Imitrodast , CAS No.114686-12-3
Synonyms
Imitrodast | Imitrodast [INN] | 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid | JCQ5G1KFHN | Benzo(b)thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)- | Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imi
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
Imitrodast | Imitrodast [INN] | 2-(imidazol-1-ylmethyl)-4, 5-dihydro-1-benzothiophene-6-carboxylic acid | JCQ5G1KFHN | Benzo(b)thiophene-6-carboxylic acid, 4, 5-dihydro-2-(1H-imidazol-1-ylmethyl)- | Benzo[b]thiophene-6-carboxylic acid, 4, 5-dihydro-2-(1H-imi
Product Properties Names and Identifiers Canonical Smiles C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3 IUPAC Name 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid InChIKey KRBSZXUPPSXPAN-UHFFFAOYSA-N INCHI 1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17) Isomeric SMILES C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3 PubChem CID 65922 Molecular Weight 260.31
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 Azoles Subclass Imidazoles Intermediate Tree Nodes Substituted imidazoles Direct Parent Imidazolyl carboxylic acids and derivatives Alternative Parents 2,3,5-trisubstituted thiophenes N-substituted imidazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Imidazolyl carboxylic acid derivative - 2,3,5-trisubstituted thiophene - N-substituted imidazole - Thiophene - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 260.310 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 260.062 Da Monoisotopic Mass 260.062 Da Topological Polar Surface Area 83.400 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 372.000 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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