Triethylene glycol di(p-toluenesulfonate) - ≥98% , CAS No.19249-03-7

CAS: 19249-03-7 Cat. No.: T119951 Peso molecular: 458.55 Beilstein Registry Number: 632509 Número EC: 628-844-0 PubChem CID: 316652

GRADE & PURITY ≥98%

Synonyms

(Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) bis(4-methylbenzenesulfonate) | BP-20689 | NSC244980 | NSC-244980 | SCHEMBL881292 | (Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl)bis(4-methylbenzenesulfonate) | 2-[2-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethoxy]et

Storage

Room temperature

Shipped In

Normal

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Sinónimos

(Ethane-1, 2-diylbis(oxy))bis(ethane-2, 1-diyl) bis(4-methylbenzenesulfonate) | BP-20689 | NSC244980 | NSC-244980 | SCHEMBL881292 | (Ethane-1, 2-diylbis(oxy))bis(ethane-2, 1-diyl)bis(4-methylbenzenesulfonate) | 2-[2-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethoxy]et

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189465
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189465
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
• IUPAC Name: 2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• InChIKey: KCONMNWPRXAWKK-UHFFFAOYSA-N
• INCHI: 1S/C20H26O8S2/c1-17-3-7-19(8-4-17)29(21,22)27-15-13-25-11-12-26-14-16-28-30(23,24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
• WGK Alemania: 3
• PubChem CID: 316652
• Peso molecular: 458.55
• Beilstein: 632509
• Reaxy-Rn: 632509

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonate esters
• Alternative Parents: p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dialkyl ether - Ether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
• 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.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 82°C
• Peso molecular: 458.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 458.107 Da
• Monoisotopic Mass: 458.107 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 605.000
• 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

Referencias

1. Shuang Chen, Yu-Hang Zhang, Xue-Tong Hu, Guan-Hua Wang, Kun-Rong Lu, Xin Jiang, Yi-Wei Fan, Ting-Ting Chen, Peng-Fei Wang, Yuhan Wu, Fa-Nian Shi.  (2024)  Novel PEO-based Solid Polymer Electrolyte with High Elasticity and High Ionic Conductivity for Room Temperature Lithium Metal Batteries.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  171  (6): (060510).  [PMID:] [10.1149/1945-7111/ad510f]