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Trifluoroacetamidoethyl-SS-propionic NHS ester

CAT: 0127-BIPG2164-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2164-01Size:50 mg
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CAS Number
2380318-60-3
Purity
98%
Smiles
C1CC (=O) N (C1=O) OC (=O) CCSSCCNC (=O) C (F) (F) F

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...
View on PubChemRaw 3D data
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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Alternative Products

CatalogName
HY-W190907Trifluoroacetamidoethyl-SS-propionic NHS ester
HY-140102Azidoethyl-SS-propionic NHS ester
HY-140119Fmoc-NH-ethyl-SS-propionic NHS ester
463066-01Propionic Acid Methyl Ester
TCL-01858-01Tetrazine-PEG5-SS-NHS ester
T18351-01Methyltetrazine-PEG4-SS-NHS ester
HY-133431DBCO-PEG3-SS-NHS ester
MBS5801257Bis-SS-C3-NHS ester
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