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· · COA & SDS available for every product · Same-day shipping on in-stock items Carboxymethanesulfonyl-acetic acid - ≥97% , CAS No.123-45-5
Synonyms
NSC93879 | NSC-93879 | Acetic acid, sulfonyldi- | WDYRPTWUNMHTJL-UHFFFAOYSA-N | Acetic acid,2'-sulfonylbis- | DTXSID10294054 | BB 0255110 | EN300-138880 | UNII-S6Q6X09W62 | Z1198149360 | S6Q6X09W62 | Q27288738 | SMR000012029 | Acetic acid, 2,2'-sulfonylbi
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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
NSC93879 | NSC-93879 | Acetic acid, sulfonyldi- | WDYRPTWUNMHTJL-UHFFFAOYSA-N | Acetic acid, 2'-sulfonylbis- | DTXSID10294054 | BB 0255110 | EN300-138880 | UNII-S6Q6X09W62 | Z1198149360 | S6Q6X09W62 | Q27288738 | SMR000012029 | Acetic acid, 2, 2'-sulfonylbi
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488189120 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488189120 Canonical Smiles C(C(=O)O)S(=O)(=O)CC(=O)O IUPAC Name 2-(carboxymethylsulfonyl)acetic acid InChIKey WDYRPTWUNMHTJL-UHFFFAOYSA-N INCHI 1S/C4H6O6S/c5-3(6)1-11(9,10)2-4(7)8/h1-2H2,(H,5,6)(H,7,8) Isomeric SMILES C(C(=O)O)S(=O)(=O)CC(=O)O Molecular Weight 182.15 Reaxy-Rn 1779605 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1779605&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 acids and derivatives Class Carboxylic acids and derivatives Subclass Dicarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Thiodiacetic acid derivatives Alternative Parents Sulfones Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Thiodiacetic_acid - Sulfonyl - Sulfone - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as thiodiacetic acid derivatives. These are compounds containing a thiodiacetic acid group (or esters/salts thereof) which is made up of two 2-sulfanylacetic (OC(=O)CS) acid moieties sharing their 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 182.150 g/mol XLogP3 -1.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 181.989 Da Monoisotopic Mass 181.989 Da Topological Polar Surface Area 117.000 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 235.000 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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