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1-Isothiocyanato-PEG3-azide

CAT: 0013-GTR19226818-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226818-01Size:100 mg
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Description
This bifunctional linker, 1-Isothiocyanato-PEG3-azide, is designed for constructing PROTAC molecules. Its isothiocyanate and azide groups enable conjugation to warhead and E3 ligase ligands, facilitating the synthesis of degraders for target protein studies in biochemical and cellular research.
CAS Number
1310686-23-7
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
[N-]=[N+]=NCCOCCOCCOCCN=C=S
Molecular Formula
C9H16N4O3S
Molecular Weight
260.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-isothiocyanato-PEG3-Azide
CAS Number1310686-23-7
PubChem CID53387313
IUPAC Name1-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-isothiocyanatoethane
Molecular FormulaC9H16N4O3S
Molecular Weight260.32
XLogP2.1
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count17
Formal Charge0
Complexity265
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
Chemical Structure
2D Structure
2D structure of 1-isothiocyanato-PEG3-Azide
CAS: 1310686-23-7
CID: 53387313
Formula: C9H16N4O3S
MW: 260.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.32
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass260.09431156
Monoisotopic Mass260.09431156
Topological Polar Surface Area86.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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