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Amine-PEG6-thiol

CAT: 0013-GTR19260977-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260977-02Size:10 mg
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Description
Amine-PEG6-thiol is a PEG-based PROTAC linker utilized in the synthesis of PROTAC molecules.
CAS Number
3107335-38-3
Field of Research
Pharmacology & Drug Discovery
Smiles
SCCOCCOCCOCCOCCOCCOCCN
Molecular Formula
C14H31NO6S
Molecular Weight
341.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amine-PEG6-thiol
CAS Number3107335-38-3
PubChem CID162642639
IUPAC Name2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Molecular FormulaC14H31NO6S
Molecular Weight341.47
XLogP-1.3
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count22
Formal Charge0
Complexity202
SMILES
C(COCCOCCOCCOCCOCCOCCS)N
InChI
InChI=1S/C14H31NO6S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h22H,1-15H2
InChIKey
IDEFPDAKQCDZCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amine-PEG6-thiol
CAS: 3107335-38-3
CID: 162642639
Formula: C14H31NO6S
MW: 341.47
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.47
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass341.18720888
Monoisotopic Mass341.18720888
Topological Polar Surface Area82.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity202
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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