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Eosin 5-isothiocyanate

CAT: 0013-GTR19337282-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19337282-02Size:25 mg
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Description
Eosin 5-isothiocyanate is a fluorescent labeling reagent widely used in life science research. Its applications include in vitro protein tagging, cellular imaging, and flow cytometry, as well as in vivo tracking studies in model organisms for biomedical investigation.
CAS Number
60520-47-0
Field of Research
Pharmacology & Drug Discovery
Molecular Weight
704.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Eosin 5-isothiocyanate

Eosin 5-isothiocyanate is the 2',4',5',7'-tetrabromo-5-isothiocyanato derivative of fluorescein; exhibits phosphorescence with an emission maximum at ~680 nm. It is an organobromine compound and an isothiocyanate. It is functionally related to a fluorescein (lactone form).

CAS Number60520-47-0
PubChem CID173745
IUPAC Name2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC21H7Br4NO5S
Molecular Weight705.0
XLogP7.6
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count32
Formal Charge0
Complexity796
SMILES
C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)O)Br
InChI
InChI=1S/C21H7Br4NO5S/c22-12-4-10-18(14(24)16(12)27)30-19-11(5-13(23)17(28)15(19)25)21(10)9-2-1-7(26-6-32)3-8(9)20(29)31-21/h1-5,27-28H
InChIKey
XHXYXYGSUXANME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eosin 5-isothiocyanate
CAS: 60520-47-0
CID: 173745
Formula: C21H7Br4NO5S
MW: 705.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight705.0
XLogP37.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass704.67375
Monoisotopic Mass700.67784
Topological Polar Surface Area120 Ų
Heavy Atom Count32
Formal Charge0
Complexity796
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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