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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-[Bis(methylthio)methylene]malononitrile - ≥97% , CAS No.5147-80-8
Synonyms
[bis(methylsulfanyl)methylidene]propanedinitrile | 2-cyano-3 | J-506255 | ([bis(methylthio)methylene] malononitrile) | 1,1-dicyano-2,2-bis-methylthioethylene | CDS1_000246 | FICQFRCPSFCFBY-UHFFFAOYSA-N | 2-cyano-3,3-bis(methylthio)propenenitrile | Maybrid
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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.
Descripción general 2-[Bis(methylthio)methylene]malononitrile is used as pharmaceutical intermediate.
Specifications Sinónimos
[bis(methylsulfanyl)methylidene]propanedinitrile | 2-cyano-3 | J-506255 | ([bis(methylthio)methylene] malononitrile) | 1, 1-dicyano-2, 2-bis-methylthioethylene | CDS1_000246 | FICQFRCPSFCFBY-UHFFFAOYSA-N | 2-cyano-3, 3-bis(methylthio)propenenitrile | Maybrid
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504756428 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756428 Sonrisas canónicas CSC(=C(C#N)C#N)SC IUPAC Name 2-[bis(methylsulfanyl)methylidene]propanedinitrile InChIKey FICQFRCPSFCFBY-UHFFFAOYSA-N INCHI 1S/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H3 Isómeros SMILES CSC(=C(C#N)C#N)SC WGK Alemania 3 Peso molecular 170.26 Reaxy-Rn 471443 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471443&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 oxygen compounds Clase Organooxygen compounds Subclass Ketene acetals Intermediate Tree Nodes Not available Direct Parent Ketene acetals Alternative Parents Sulfenyl compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Ketene acetal or derivatives - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as ketene acetals. These are organic compounds comprising the ketene acetal functional group, with the general structure XC(Y)=C(R3)R4 (R1,R2=H, alkyl, aryl; X,Y=any hetero atom). 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 Punto de fusión (°C) 79-84°C Peso molecular 170.300 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 169.997 Da Monoisotopic Mass 169.997 Da Topological Polar Surface Area 98.200 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 213.000 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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