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Trifluoroacetamidoethyl-SS-propionic NHS ester

CAT: 0804-HY-W190907Size: 1 EachDry Ice: NoHazardous: No
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Description
Trifluoroacetamidoethyl-SS-propionic NHS ester is a cleavable linker containing an NHS ester. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules. The disulfide bond can be cleaved under reduction conditions.
CAS Number
2380318-60-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(CCSSCCNC(C(F)(F)F)=O)ON1C(CCC1=O)=O
Molecular Formula
C11H13F3N2O5S2
Molecular Weight
374.36
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Trifluoroacetamidoethyl-SS-propionic NHS ester
CAS Number2380318-60-3
PubChem CID139593567
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]propanoate
Molecular FormulaC11H13F3N2O5S2
Molecular Weight374.4
XLogP0.3
Topological Polar Surface Area143
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity471
SMILES
C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O5S2/c12-11(13,14)10(20)15-4-6-23-22-5-3-9(19)21-16-7(17)1-2-8(16)18/h1-6H2,(H,15,20)
InChIKey
WQEBROPMGISFEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trifluoroacetamidoethyl-SS-propionic NHS ester
CAS: 2380318-60-3
CID: 139593567
Formula: C11H13F3N2O5S2
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass374.02179835
Monoisotopic Mass374.02179835
Topological Polar Surface Area143 Ų
Heavy Atom Count23
Formal Charge0
Complexity471
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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