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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(1,3-Dithian-2-ylidene)-2,4-pentanedione - ≥98% , CAS No.55727-23-6
Synonyms
SCHEMBL5922461 | PGPIRMKKHQOWIK-UHFFFAOYSA-N | MFCD01096981 | FT-0667724 | Z414323656 | NCGC00333027-01 | AKOS004909299 | T71056 | SY053467 | D4208 | EN300-40817 | 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE | 3-(1,3-dithian-2-ylidene)pentane-2,4-dione |
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Why this grade ≥98% 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
SCHEMBL5922461 | PGPIRMKKHQOWIK-UHFFFAOYSA-N | MFCD01096981 | FT-0667724 | Z414323656 | NCGC00333027-01 | AKOS004909299 | T71056 | SY053467 | D4208 | EN300-40817 | 3-(1, 3-DITHIAN-2-YLIDENE)-PENTANE-2, 4-DIONE | 3-(1, 3-dithian-2-ylidene)pentane-2, 4-dione |
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191063 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191063 Sonrisas canónicas CC(=O)C(=C1SCCCS1)C(=O)C IUPAC Name 3-(1,3-dithian-2-ylidene)pentane-2,4-dione InChIKey PGPIRMKKHQOWIK-UHFFFAOYSA-N INCHI 1S/C9H12O2S2/c1-6(10)8(7(2)11)9-12-4-3-5-13-9/h3-5H2,1-2H3 Isómeros SMILES CC(=O)C(=C1SCCCS1)C(=O)C Peso molecular 216.31 Reaxy-Rn 8052948 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8052948&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 Clase Dithianes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Dithianes Alternative Parents Vinylogous thioesters Enones Acryloyl compounds Ketones Ketene acetals Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic heteromonocyclic compounds Substituents Vinylogous thioester - 1,3-dithiane - Enone - Acryloyl-group - Ketone - Ketene acetal or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 103 °C Peso molecular 216.300 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 216.028 Da Monoisotopic Mass 216.028 Da Topological Polar Surface Area 84.700 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 245.000 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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