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· · COA & SDS available for every product · Same-day shipping on in-stock items Home Applications Drug Discovery Methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate , CAS No.315682-60-1 Methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate , CAS No.315682-60-1
Synonyms
methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate | METHYL 2-[2-({5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4-YL}SULFANYL)ACETAMIDO]-4-PHENYLTHIOPHENE-3-CARBOXYLATE | SMR000195835 | MLS000574243 | methyl
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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
methyl 2-[[2-(5, 6-dimethylthieno[2, 3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate | METHYL 2-[2-({5, 6-DIMETHYLTHIENO[2, 3-D]PYRIMIDIN-4-YL}SULFANYL)ACETAMIDO]-4-PHENYLTHIOPHENE-3-CARBOXYLATE | SMR000195835 | MLS000574243 | methyl
Product Properties Names and Identifiers Canonical Smiles CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC)C IUPAC Name methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate InChIKey CIQNDPKBCSBYNB-UHFFFAOYSA-N INCHI 1S/C22H19N3O3S3/c1-12-13(2)31-20-17(12)19(23-11-24-20)30-10-16(26)25-21-18(22(27)28-3)15(9-29-21)14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3,(H,25,26) Isomeric SMILES CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC)C PubChem CID 1632519 Molecular Weight 469.6
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.
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View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Thienopyrimidines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thienopyrimidines Alternative Parents Thiophene carboxylic acids and derivatives N-arylamides Alkylarylthioethers Benzene and substituted derivatives Pyrimidines and pyrimidine derivatives Vinylogous amides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Thienopyrimidine - Aryl thioether - N-arylamide - Thiophene carboxylic acid or derivatives - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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 469.600 g/mol XLogP3 6.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 7 Exact Mass 469.059 Da Monoisotopic Mass 469.059 Da Topological Polar Surface Area 163.000 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 649.000 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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