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· · COA & SDS available for every product · Same-day shipping on in-stock items 3,3-dioxo-3λ⁶-thiabicyclo[3.1.0]hexane-6-carboxylic acid - ≥97% , CAS No.1783317-08-7
Synonyms
PS-20582 | 3-Thiabicyclo[3.1.0]hexane-6-carboxylic acid 3,3-dioxide | EN300-6779469 | E?-thiabicyclo[3.1.0]hexane-6-carboxylic acid | AT12465 | 3,3-Dioxo-3-thiabicyclo[3.1.0]hexane-6-carboxylic acid | 3-Thiabicyclo[3.1.0]hexane-6-carboxylicacid3,3-dioxide
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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.
Specifications Synonyms
PS-20582 | 3-Thiabicyclo[3.1.0]hexane-6-carboxylic acid 3, 3-dioxide | EN300-6779469 | E?-thiabicyclo[3.1.0]hexane-6-carboxylic acid | AT12465 | 3, 3-Dioxo-3-thiabicyclo[3.1.0]hexane-6-carboxylic acid | 3-Thiabicyclo[3.1.0]hexane-6-carboxylicacid3, 3-dioxide
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1C2C(C2C(=O)O)CS1(=O)=O IUPAC Name 3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexane-6-carboxylic acid InChIKey IUZPVUZQTFUBDQ-UHFFFAOYSA-N INCHI 1S/C6H8O4S/c7-6(8)5-3-1-11(9,10)2-4(3)5/h3-5H,1-2H2,(H,7,8) Isomeric SMILES C1C2C(C2C(=O)O)CS1(=O)=O Alternate CAS 1783317-08-7 PubChem CID 84049165 Molecular Weight 176.19
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 Thianes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thianes Alternative Parents Cyclopropanecarboxylic acids Thiolanes Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Thiane - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Thiolane - Sulfone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 176.190 g/mol XLogP3 -0.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 176.014 Da Monoisotopic Mass 176.014 Da Topological Polar Surface Area 79.800 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 281.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 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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