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68516-66-5 | 5-[(6-ethoxy-1-ethyl-(1H)-quinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-4-oxo-2-thioxothiazolidinium toluene-p-sulphonate
CAS No: 68516-66-5 Catalog No: AG00FO6R MDL No:
Product Description
Catalog Number:
AG00FO6R
Chemical Name:
5-[(6-ethoxy-1-ethyl-(1H)-quinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-4-oxo-2-thioxothiazolidinium toluene-p-sulphonate
CAS Number:
68516-66-5
IUPAC Name:
(5Z)-5-[(2E)-2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-3-methyl-2-sulfanylidene-1,3-thiazolidin-3-ium-4-one;4-methylbenzenesulfonate
InChI:
InChI=1S/C21H25N2O2S2.C7H8O3S/c1-5-22-16(9-8-15-14-17(25-7-3)11-12-18(15)22)10-13-19-20(24)23(4,6-2)21(26)27-19;1-6-2-4-7(5-3-6)11(8,9)10/h8-14H,5-7H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b16-10+,19-13-;
InChI Key:
JTKUVXFPQBFUHL-FCHXBNMSSA-M
EC Number:
271-170-3
Properties
Complexity:
893
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
572.147g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
572.753g/mol
Monoisotopic Mass:
572.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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