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4609-41-0 | 2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-1-methylquinolinium iodide
CAS No: 4609-41-0 Catalog No: AG00DUIS MDL No:
Product Description
Catalog Number:
AG00DUIS
Chemical Name:
2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-1-methylquinolinium iodide
CAS Number:
4609-41-0
IUPAC Name:
3-ethyl-2-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C20H19N2S.HI/c1-3-22-18-10-6-7-11-19(18)23-20(22)14-16-13-12-15-8-4-5-9-17(15)21(16)2;/h4-14H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
JWPUZUFARDVWGW-UHFFFAOYSA-M
EC Number:
225-016-7
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.031g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.35g/mol
Monoisotopic Mass:
446.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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