[dimethylamino-[[2-[4-[[4-[5-[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-6-methyl-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazol-5-yl]methylsulfanyl]methylidene]-dimethylazanium;dichloride


Chemical Name: [dimethylamino-[[2-[4-[[4-[5-[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-6-methyl-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazol-5-yl]methylsulfanyl]methylidene]-dimethylazanium;dichloride
CAS Number: 61968-76-1
Product Number: AG00JKGD(AGN-PC-04VXJX)
Synonyms:
MDL No: MFCD00012024
Molecular Formula: C40H46Cl2N8S4
Molecular Weight: 838.01284

Identification/Properties


Computed Properties
Molecular Weight:
838.004g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
12
Exact Mass:
836.211g/mol
Monoisotopic Mass:
836.211g/mol
Topological Polar Surface Area:
170A^2
Heavy Atom Count:
54
Formal Charge:
0
Complexity:
1130
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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