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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 4-(1,1-Dioxothiomorpholino)benzoate - ≥98% , CAS No.451485-76-0
Synonyms
Methyl 4-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)benzoate | Methyl 4-(1,1-Dioxothiomorpholino)benzoate | MFCD02661674 | SMR000335991 | SCHEMBL12551037 | Methyl 4-(1,1-dioxidothiomorpholino)benzoate | A912581 | methyl 4-(1,1-dioxo-1 | M1587 | MLS000720483 |
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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
Methyl 4-(1, 1-dioxo-1lambda~6~, 4-thiazinan-4-yl)benzoate | Methyl 4-(1, 1-Dioxothiomorpholino)benzoate | MFCD02661674 | SMR000335991 | SCHEMBL12551037 | Methyl 4-(1, 1-dioxidothiomorpholino)benzoate | A912581 | methyl 4-(1, 1-dioxo-1 | M1587 | MLS000720483 |
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas COC(=O)C1=CC=C(C=C1)N2CCS(=O)(=O)CC2 IUPAC Name methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate InChIKey IMLAPXMJROBNSS-UHFFFAOYSA-N INCHI 1S/C12H15NO4S/c1-17-12(14)10-2-4-11(5-3-10)13-6-8-18(15,16)9-7-13/h2-5H,6-9H2,1H3 Isómeros SMILES COC(=O)C1=CC=C(C=C1)N2CCS(=O)(=O)CC2 Peso molecular 269.32 Reaxy-Rn 30571254 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30571254&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 Thiazinanes Subclass Thiomorpholines Intermediate Tree Nodes Not available Direct Parent Phenylthiomorpholines Alternative Parents Benzoic acid esters Aminobenzoic acids and derivatives Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Sulfones Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 4-phenylthiomorpholine - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Sulfone - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylthiomorpholines. These are compounds containing a thiomorpholine ring conjugated to a phenyl group. Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms. 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 269.320 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 269.072 Da Monoisotopic Mass 269.072 Da Topological Polar Surface Area 72.100 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 379.000 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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