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55479-14-6 | 1-ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium toluene-p-sulphonate
CAS No: 55479-14-6 Catalog No: AG00DTVV MDL No:
Product Description
Catalog Number:
AG00DTVV
Chemical Name:
1-ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium toluene-p-sulphonate
CAS Number:
55479-14-6
IUPAC Name:
2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole;4-methylbenzenesulfonate
InChI:
InChI=1S/C20H19N2S.C7H8O3S/c1-3-22-16(13-12-15-8-4-5-9-17(15)22)14-20-21(2)18-10-6-7-11-19(18)23-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
PHQCMRONRWXIRN-UHFFFAOYSA-M
EC Number:
259-661-0
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.138g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.636g/mol
Monoisotopic Mass:
490.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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