1-isothiocyanato-PEG4-Alcohol - ≥98% , CAS No.1835759-69-7

CAS: 1835759-69-7 Cat. No.: I596776 Peso molecular: 235.30

GRADE & PURITY ≥98%

Synonyms

1835759-69-7 | 2-[2-[2-(2-isothiocyanatoethoxy)ethoxy]ethoxy]ethanol | MS-23361 | AKOS040740980 | DTXSID501238657 | BP-22970 | 1-isothiocyanato-PEG4-Alcohol | 2-(2-(2-(2-isothiocyanatoethoxy)ethoxy)ethoxy)ethan-1-ol | C70211 | HY-141246 | 3,6,9-Trioxa-12-

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

1-isothiocyanato-PEG4-Alcohol is a crosslinker containing an hydroxyl group and isothiocyanato group. The hydroxyl group can undergo different reactions to further derivatize the compound. Isothiocyanate and its linkage isomer thiocyanate are ligands in coordination chemistry. The hydrophilic PEG spacer increases solubility in aqueous media.

Specifications

Sinónimos

1835759-69-7 | 2-[2-[2-(2-isothiocyanatoethoxy)ethoxy]ethoxy]ethanol | MS-23361 | AKOS040740980 | DTXSID501238657 | BP-22970 | 1-isothiocyanato-PEG4-Alcohol | 2-(2-(2-(2-isothiocyanatoethoxy)ethoxy)ethoxy)ethan-1-ol | C70211 | HY-141246 | 3, 6, 9-Trioxa-12-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(COCCOCCOCCO)N=C=S
• IUPAC Name: 2-[2-[2-(2-isothiocyanatoethoxy)ethoxy]ethoxy]ethanol
• InChIKey: ZFBITNPIULLZRY-UHFFFAOYSA-N
• INCHI: 1S/C9H17NO4S/c11-2-4-13-6-8-14-7-5-12-3-1-10-9-15/h11H,1-8H2
• Isómeros SMILES: C(COCCOCCOCCO)N=C=S
• CAS alternativo: 1835759-69-7
• Peso molecular: 235.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Alcohols and polyols
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Moisture sensitive
• Peso molecular: 235.300 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 235.088 Da
• Monoisotopic Mass: 235.088 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 173.000
• 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