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Copper (II) ionophore I

CAT: 0013-GTR19239818-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239818-01Size:1 mg
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Description
Copper (II) ionophore I is a research compound that selectively transports copper ions across cellular membranes. It is widely used in vitro to study copper homeostasis, metallobiology, and to induce cuproptosis, a copper-dependent form of cell death, in various cancer cell lines.
CAS Number
125769-67-7
Purity
98.17% (May vary between batches)
Smiles
S=C (SCC=1C=CC=CC1CSC (=S) N (CC (C) C) CC (C) C) N (CC (C) C) CC (C) C
Molecular Formula
C26H44N2S4
Molecular Weight
512.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Copper(II) ionophore I
CAS Number125769-67-7
PubChem CID5167277
IUPAC Name[2-[bis(2-methylpropyl)carbamothioylsulfanylmethyl]phenyl]methyl N,N-bis(2-methylpropyl)carbamodithioate
Molecular FormulaC26H44N2S4
Molecular Weight512.9
XLogP8.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count32
Formal Charge0
Complexity480
SMILES
CC(C)CN(CC(C)C)C(=S)SCC1=CC=CC=C1CSC(=S)N(CC(C)C)CC(C)C
InChI
InChI=1S/C26H44N2S4/c1-19(2)13-27(14-20(3)4)25(29)31-17-23-11-9-10-12-24(23)18-32-26(30)28(15-21(5)6)16-22(7)8/h9-12,19-22H,13-18H2,1-8H3
InChIKey
JOEGUDLMKJATMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Copper(II) ionophore I
CAS: 125769-67-7
CID: 5167277
Formula: C26H44N2S4
MW: 512.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.9
XLogP38.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass512.23873411
Monoisotopic Mass512.23873411
Topological Polar Surface Area121 Ų
Heavy Atom Count32
Formal Charge0
Complexity480
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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