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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-(Benzylthio)-4，6-pyrimidinediamine - ≥95% , CAS No.84890-62-0 🧪
Why this grade ≥95% 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 Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N)N IUPAC Name 2-benzylsulfanylpyrimidine-4,6-diamine InChIKey DAZJCNWHHPUGCC-UHFFFAOYSA-N INCHI 1S/C11H12N4S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15) Isómeros SMILES C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N)N PubChem CID 675042 Peso molecular 232.31
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 Organosulfur compounds Clase Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Aryl thioethers Alternative Parents Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl thioether - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 232.310 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 232.078 Da Monoisotopic Mass 232.078 Da Topological Polar Surface Area 103.000 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 198.000 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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