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GRADE & PURITY 10mM in DMSO
Shipped In
Dry ice packs + Cold packs
Specifications Specifications & Purity
10mM in DMSO
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 3.125 hba_count 2 Rotatable Bond 3
Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC=CS3 IUPAC Name 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide InChIKey BUBDWBMVMWMBJV-UHFFFAOYSA-N INCHI 1S/C15H17N3O3S2/c1-11-4-6-12(7-5-11)23(20,21)18-9-2-3-13(18)14(19)17-15-16-8-10-22-15/h4-8,10,13H,2-3,9H2,1H3,(H,16,17,19) Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC=CS3 Molecular Weight 302.76 Reaxy-Rn 39668274 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39668274&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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Toluenes Intermediate Tree Nodes Tosyl compounds - P-toluenesulfonamides Direct Parent N,N-disubstituted p-toluenesulfonamides Alternative Parents Proline and derivatives Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidinecarboxamides N-arylamides Organosulfonamides Thiazoles Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents N,n-disubstituted p-toluenesulfonamide - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine-2-carboxamide - N-arylamide - Pyrrolidine carboxylic acid or derivatives - Organosulfonic acid amide - Pyrrolidine - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted. 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 DMSO(mM) Max Solubility 10 Molecular Weight 351.400 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 351.071 Da Monoisotopic Mass 351.071 Da Topological Polar Surface Area 116.000 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 527.000 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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