Quinolinium, 1-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-,salt with 4-methylbenzenesulfonic acid (1:1)


Chemical Name: Quinolinium, 1-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-,salt with 4-methylbenzenesulfonic acid (1:1)
CAS Number: 107091-89-4
Product Number: AG007B5U(AGN-PC-0OWT9X)
Synonyms:
MDL No: MFCD00192499
Molecular Formula: C26H24N2O3S2
Molecular Weight: 476.6104

Identification/Properties


Computed Properties
Molecular Weight:
476.609g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
476.123g/mol
Monoisotopic Mass:
476.123g/mol
Topological Polar Surface Area:
98A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
628
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
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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