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2642-25-3 | 1-ethyl-4-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide
CAS No: 2642-25-3 Catalog No: AG00C4C8 MDL No:
Product Description
Catalog Number:
AG00C4C8
Chemical Name:
1-ethyl-4-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide
CAS Number:
2642-25-3
IUPAC Name:
(2E)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C23H23N2S.HI/c1-3-24-17-16-18(19-11-5-6-12-20(19)24)10-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
ZWIKBMUTEGLNPC-UHFFFAOYSA-M
EC Number:
220-143-4
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
486.063g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.415g/mol
Monoisotopic Mass:
486.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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