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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-phenyl-2-(prop-2-yn-1-ylthio)quinazolin-4(3H)-one , CAS No.53954-28-2
Synonyms
3-phenyl-2-(prop-2-yn-1-ylthio)quinazolin-4(3H)-one | 3-phenyl-2-(prop-2-yn-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one | 3-phenyl-2-prop-2-ynylsulfanylquinazolin-4-one | Oprea1_008718 | Oprea1_322705 | 3-phenyl-2-prop-2-ynylthio-3-hydroquinazolin-4-one | D
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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
3-phenyl-2-(prop-2-yn-1-ylthio)quinazolin-4(3H)-one | 3-phenyl-2-(prop-2-yn-1-ylsulfanyl)-3, 4-dihydroquinazolin-4-one | 3-phenyl-2-prop-2-ynylsulfanylquinazolin-4-one | Oprea1_008718 | Oprea1_322705 | 3-phenyl-2-prop-2-ynylthio-3-hydroquinazolin-4-one | D
Product Properties Names and Identifiers Canonical Smiles C#CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3 IUPAC Name 3-phenyl-2-prop-2-ynylsulfanylquinazolin-4-one InChIKey DNSCLWJDGOJUHA-UHFFFAOYSA-N INCHI 1S/C17H12N2OS/c1-2-12-21-17-18-15-11-7-6-10-14(15)16(20)19(17)13-8-4-3-5-9-13/h1,3-11H,12H2 Isomeric SMILES C#CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3 PubChem CID 1856731 Molecular Weight 292.4
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 Diazanaphthalenes Subclass Benzodiazines Intermediate Tree Nodes Not available Direct Parent Quinazolines Alternative Parents Pyrimidones Alkylarylthioethers Benzene and substituted derivatives Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Acetylides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Quinazoline - Aryl thioether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Acetylide - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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 292.400 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 292.067 Da Monoisotopic Mass 292.067 Da Topological Polar Surface Area 58.000 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 472.000 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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