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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate - ≥98% , CAS No.7396-41-0
Synonyms
CCG-43180 | D89997 | SCHEMBL1654688 | Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate, 98% | BDBM48938 | dimethyl 1,3-dithiol-2-thion-4,5-dicarboxylate | cid_547914 | NSC766906 | NSC775772 | 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLICACIDDIMETHYLESTER | dimet
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
CCG-43180 | D89997 | SCHEMBL1654688 | Dimethyl 2-thioxo-1, 3-dithiole-4, 5-dicarboxylate, 98% | BDBM48938 | dimethyl 1, 3-dithiol-2-thion-4, 5-dicarboxylate | cid_547914 | NSC766906 | NSC775772 | 1, 3-DITHIOLE-2-THIONE-4, 5-DICARBOXYLICACIDDIMETHYLESTER | dimet
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Nombres e identificadores Pubchem Sid 504759214 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759214 Sonrisas canónicas COC(=O)C1=C(SC(=S)S1)C(=O)OC IUPAC Name dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate InChIKey UZKKFHMMXWDIPD-UHFFFAOYSA-N INCHI 1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3 Isómeros SMILES COC(=O)C1=C(SC(=S)S1)C(=O)OC WGK Alemania 3 Peso molecular 250.3 Beilstein 1288370 Reaxy-Rn 1288368 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1288368&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 Organic acids and derivatives Clase Carboxylic acids and derivatives Subclass Dicarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Dicarboxylic acids and derivatives Alternative Parents Methyl esters Heteroaromatic compounds 1,3-dithioles Organosulfur compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Dicarboxylic acid or derivatives - Heteroaromatic compound - Dithiole - 1,3-dithiole - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solubility in hot Methanol：almost transparency Sensibilidad Air sensitive Punto de fusión (°C) 88 °C Peso molecular 250.300 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 4 Exact Mass 249.943 Da Monoisotopic Mass 249.943 Da Topological Polar Surface Area 135.000 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 304.000 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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