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CuATSM

CAT: 0013-GTR19191366-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191366-02Size:5 mg
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Description
CuATSM
CAS Number
68341-09-3
Field of Research
Cell Biology
Purity
97.01% (May vary between batches)
Smiles
[N-]1C (=[S][Cu+2]23[S]=C ([N-][N]3=C (C (=[N]12) C) C) NC) NC
Molecular Formula
C8H14CuN6S2
Molecular Weight
321.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Atsm copper (ii)

Cu(II)ATSM is an organic molecular entity.

CAS Number68341-09-3
PubChem CID10064708
IUPAC Namecopper N'-methyl-N-[(E)-[(3E)-3-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]butan-2-ylidene]amino]carbamimidothioate
Molecular FormulaC8H14CuN6S2
Molecular Weight321.9
Topological Polar Surface Area75.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity310
SMILES
C/C(=N\NC(=NC)[S-])/C(=N/NC(=NC)[S-])/C.[Cu+2]
InChI
InChI=1S/C8H16N6S2.Cu/c1-5(11-13-7(15)9-3)6(2)12-14-8(16)10-4;/h1-4H3,(H2,9,13,15)(H2,10,14,16);/q;+2/p-2/b11-5+,12-6+;
InChIKey
SBHDKYTVDCRMOE-JPAPVDFESA-L
Chemical Structure
2D Structure
2D structure of Atsm copper (ii)
CAS: 68341-09-3
CID: 10064708
Formula: C8H14CuN6S2
MW: 321.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass321.001734
Monoisotopic Mass321.001734
Topological Polar Surface Area75.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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