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60435-31-6

60435-31-6 | 1-methyl-2-[3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide

CAS No: 60435-31-6 Catalog No: AG00F4AJ MDL No:

Product Description

Catalog Number:
AG00F4AJ
Chemical Name:
1-methyl-2-[3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide
CAS Number:
60435-31-6
IUPAC Name:
(2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C21H19N2S.HI/c1-22-17(15-14-16-8-3-4-10-18(16)22)9-7-13-21-23(2)19-11-5-6-12-20(19)24-21;/h3-15H,1-2H3;1H/q+1;/p-1
InChI Key:
IEYXZQFNQJFMOD-UHFFFAOYSA-M
EC Number:
262-232-0

Properties

Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
458.031g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.361g/mol
Monoisotopic Mass:
458.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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