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97752-40-4 | 2,2'-[ETHYLENEBIS[IMINO(3-ETHOXY-4,1-PHENYLENE)AZO]]BIS[3-METHYLTHIAZOLIUM] SULFATE
CAS No: 97752-40-4 Catalog No: AG006BDR MDL No:
Product Description
Catalog Number:
AG006BDR
Chemical Name:
2,2'-[ETHYLENEBIS[IMINO(3-ETHOXY-4,1-PHENYLENE)AZO]]BIS[3-METHYLTHIAZOLIUM] SULFATE
CAS Number:
97752-40-4
Molecular Formula:
C26H32N8O6S3
Molecular Weight:
648.7773
IUPAC Name:
N,N'-bis[2-ethoxy-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]ethane-1,2-diamine;sulfate
InChI:
InChI=1S/C26H30N8O2S2.H2O4S/c1-5-35-23-17-19(29-31-25-33(3)13-15-37-25)7-9-21(23)27-11-12-28-22-10-8-20(18-24(22)36-6-2)30-32-26-34(4)14-16-38-26;1-5(2,3)4/h7-10,13-18H,5-6,11-12H2,1-4H3;(H2,1,2,3,4)
InChI Key:
WWRWMNINCJHQAP-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)[O-].CCOc1cc(ccc1NCCNc1ccc(cc1OCC)N=Nc1scc[n+]1C)N=Nc1scc[n+]1C
EC Number:
307-802-2
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.161g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
648.772g/mol
Monoisotopic Mass:
648.161g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
245A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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