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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-tert-butyl-5-chloro-1,1-dioxo-isothiazol-3-one - ≥97% , CAS No.850314-47-5 🧪
Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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 Specifications & Purity
≥97%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC(C)(C)N1C(=O)C=C(S1(=O)=O)Cl IUPAC Name 2-tert-butyl-5-chloro-1,1-dioxo-1,2-thiazol-3-one InChIKey HVIHMBJTRYBOCP-UHFFFAOYSA-N INCHI 1S/C7H10ClNO3S/c1-7(2,3)9-6(10)4-5(8)13(9,11)12/h4H,1-3H3 Isomeric SMILES CC(C)(C)N1C(=O)C=C(S1(=O)=O)Cl Alternate CAS 850314-47-5 PubChem CID 21878638
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 Class Azolines Subclass Thiazolines Intermediate Tree Nodes Not available Direct Parent Thiazolines Alternative Parents Vinylogous halides Organosulfonic acids and derivatives Acrylic acids and derivatives Ketene acetals Vinyl chlorides Chloroalkenes Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteromonocyclic compounds Substituents Organic sulfonic acid or derivatives - Acrylic acid or derivatives - Organosulfonic acid or derivatives - Ortho-thiazoline - Vinylogous halide - Ketene acetal or derivatives - Carboxylic acid derivative - Vinyl chloride - Vinyl halide - Azacycle - Haloalkene - Chloroalkene - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Aliphatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 223.680 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 223.007 Da Monoisotopic Mass 223.007 Da Topological Polar Surface Area 62.800 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 372.000 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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