diazanium;3-ethyl-2-[(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate


Chemical Name: diazanium;3-ethyl-2-[(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate
CAS Number: 30931-67-0
Product Number: AG0031P9(AGN-PC-0JKOLL)
Synonyms:
MDL No:
Molecular Formula: C18H24N6O6S4
Molecular Weight: 548.6798

Identification/Properties


Computed Properties
Molecular Weight:
548.666g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
5
Exact Mass:
548.064g/mol
Monoisotopic Mass:
548.064g/mol
Topological Polar Surface Area:
209A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
910
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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