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· · COA & SDS available for every product · Same-day shipping on in-stock items Polythiazide - Moligand™ , Thiazide-sensitive sodium-chloride cotransporter inhibitor, CAS No.346-18-9, Thiazide-sensitive sodium-chloride cotransporter inhibitor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
EN300-18539445 | 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide, (+)- | NSC 108161 | 2H-1,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-[[(2,2,2-trifluoroethy
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Why this grade Moligand™ Moligand™ 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 Synonyms
EN300-18539445 | 2H-1, 2, 4-Benzothiadiazine-7-sulfonamide, 6-chloro-3, 4-dihydro-2-methyl-3-(((2, 2, 2-trifluoroethyl)thio)methyl)-, 1, 1-dioxide, (+)- | NSC 108161 | 2H-1, 4-Benzothiadiazine-7-sulfonamide, 6-chloro-3, 4-dihydro-2-methyl-3-[[(2, 2, 2-trifluoroethy
Specifications & Purity
Moligand™
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Thiazide-sensitive sodium-chloride cotransporter inhibitor
Product Properties Names and Identifiers Canonical Smiles CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F IUPAC Name 6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide InChIKey CYLWJCABXYDINA-UHFFFAOYSA-N INCHI 1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20) Isomeric SMILES CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F PubChem CID 4870 Molecular Weight 439.87
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 Thiadiazines Subclass Benzothiadiazines Intermediate Tree Nodes Not available Direct Parent 1,2,4-benzothiadiazine-1,1-dioxides Alternative Parents Secondary alkylarylamines Organosulfonamides Benzenoids Aryl chlorides Aminosulfonyl compounds Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,2,4-benzothiadiazine-1,1-dioxide - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Secondary amine - Azacycle - Dialkylthioether - Thioether - Sulfenyl compound - Organic oxide - Alkyl fluoride - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position. External Descriptors benzothiadiazine 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 Melt Point(°C) 211-214° C Molecular Weight 439.900 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 4 Exact Mass 438.971 Da Monoisotopic Mass 438.971 Da Topological Polar Surface Area 152.000 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 692.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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