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1-Isothiocyanato-PEG3-azide | CAS 1310686-23-7
| Catalog Number | R14-0138 |
| Category | Azides |
| Molecular Formula | C9H16N4O3S |
| Molecular Weight | 260.31 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
1-Isothiocyanato-PEG3-azide is a crosslinker containing an azide group and an isothiocyanato group. The azide group enables PEGylation via Click Chemistry. Isothiocyanate and its linkage isomer thiocyanate are ligands in coordination chemistry. The hydrophilic PEG spacer increases solubility in aqueous media.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | 1-azido-2-(2-(2-(2-isothiocyanatoethoxy)ethoxy)ethoxy)ethane; 5,8,11-Trioxa-2-azatridec-1-ene, 13-azido-1-thioxo- |
| Purity | ≥95% |
| IUPAC Name | 1-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-isothiocyanatoethane |
| Canonical SMILES | C(COCCOCCOCCN=[N+]=[N-])N=C=S |
| InChI | InChI=1S/C9H16N4O3S/c10-13-12-2-4-15-6-8-16-7-5-14-3-1-11-9-17/h1-8H2 |
| InChIKey | WGVGUDRBZOFJRC-UHFFFAOYSA-N |
| Solubility | Soluble in DMSO |
| Appearance | Pale Yellow or Colorless Oily Matter |
| Storage | Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years) |
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 260.09431156 g/mol |
| Monoisotopic Mass | 260.09431156 g/mol |
| Topological Polar Surface Area | 86.5Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 265 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-2788354-B1 | Functionalisation of cage amine ligands for metallo-radiopharmaceuticals | 2011-12-06 |
| US-2015051392-A1 | Functionalisation of cage amine ligands for metallo-radiopharmaceuticals | 2011-12-06 |
| US-9364570-B2 | Functionalisation of cage amine ligands for metallo-radiopharmaceuticals | 2011-12-06 |
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