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Basic green 5

CAT: 0024-sc-215382ASize: 250 gDry Ice: NoHazardous: No
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CAT#:0024-sc-215382ASize:250 g
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CAS Number
224967-52-6

Chemical Information

Methylene Green zinc chloride double salt
CAS Number224967-52-6
PubChem CID16211533
IUPAC Namedichlorozinc;bis([7-(dimethylamino)-4-nitrophenothiazin-3-ylidene]-dimethylazanium);dichloride
Molecular FormulaC32H34Cl4N8O4S2Zn
Molecular Weight866.0
Topological Polar Surface Area179
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Heavy Atom Count51
Formal Charge0
Complexity656
SMILES
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C(=C3S2)[N+](=O)[O-].CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C(=C3S2)[N+](=O)[O-].[Cl-].[Cl-].Cl[Zn]Cl
InChI
InChI=1S/2C16H17N4O2S.4ClH.Zn/c2*1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22;;;;;/h2*5-9H,1-4H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKey
ZGFKRQWRLSADBE-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Methylene Green zinc chloride double salt
CAS: 224967-52-6
CID: 16211533
Formula: C32H34Cl4N8O4S2Zn
MW: 866.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight866.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Exact Mass864.016046
Monoisotopic Mass862.018996
Topological Polar Surface Area179 Ų
Heavy Atom Count51
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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