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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 1-(4-methylsulfanylphenyl)pentane-1,4-dione - ≥97% , CAS No.189501-33-5
Synonyms
1-[4-(methylsulfanyl)phenyl]pentane-1,4-dione | 1-(4-methylsulfanylphenyl)pentane-1,4-dione | PB41542 | 1-[4-(Methylthio)phenyl]pentane-1,4-dione | SCHEMBL461531 | J-503210 | SY321800 | 1-(4-(Methylthio)phenyl)pentane-1,4-dione | AKOS005069219 | DTXSID404
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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 Sinónimos
1-[4-(methylsulfanyl)phenyl]pentane-1, 4-dione | 1-(4-methylsulfanylphenyl)pentane-1, 4-dione | PB41542 | 1-[4-(Methylthio)phenyl]pentane-1, 4-dione | SCHEMBL461531 | J-503210 | SY321800 | 1-(4-(Methylthio)phenyl)pentane-1, 4-dione | AKOS005069219 | DTXSID404
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC(=O)CCC(=O)C1=CC=C(C=C1)SC IUPAC Name 1-(4-methylsulfanylphenyl)pentane-1,4-dione InChIKey HSJZPSYCLXIRPN-UHFFFAOYSA-N INCHI 1S/C12H14O2S/c1-9(13)3-8-12(14)10-4-6-11(15-2)7-5-10/h4-7H,3,8H2,1-2H3 Isómeros SMILES CC(=O)CCC(=O)C1=CC=C(C=C1)SC CAS alternativo 189501-33-5 PubChem CID 10537012 Peso molecular 222.3
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 Organic oxygen compounds Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Sulfenyl compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Aryl thioether - Aryl alkyl ketone - Thiophenol ether - Benzoyl - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 222.310 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 222.071 Da Monoisotopic Mass 222.071 Da Topological Polar Surface Area 59.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 230.000 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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