Tos-PEG4-THP - ≥97% , CAS No.86259-89-4

CAS: 86259-89-4 Cat. No.: T1342308 Fórmula: C₂₀H₃₂O₈S Peso molecular: 432.5 PubChem CID: 13558887

GRAU & PUREZA ≥97%

Storage

Room temperature

Shipped In

Normal

Especificações

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOC2CCCCO2

IUPAC Name

2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

InChIKey

AWIUPDGEVFBSGD-UHFFFAOYSA-N

INCHI

1S/C20H32O8S/c1-18-5-7-19(8-6-18)29(21,22)28-17-15-25-13-11-23-10-12-24-14-16-27-20-4-2-3-9-26-20/h5-8,20H,2-4,9-17H2,1H3

SMILES isoméricas

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOC2CCCCO2

PubChem CID

13558887

Peso molecular

432.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 Oxanes Organosulfonic acid esters Sulfonyls Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Oxane - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 432.500 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 432.182 Da
• Monoisotopic Mass: 432.182 Da
• Topological Polar Surface Area: 97.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 499.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86259-89-4, the molecular formula is C20H32O8S, and the molecular weight is 432.5 g/mol. InChIKey AWIUPDGEVFBSGD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.