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68758-65-6 | 1-ethyl-2-[3-(1-ethyl-1H-quinolin-4-ylidene)-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate
CAS No: 68758-65-6 Catalog No: AG00FOWX MDL No:
Product Description
Catalog Number:
AG00FOWX
Chemical Name:
1-ethyl-2-[3-(1-ethyl-1H-quinolin-4-ylidene)-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate
CAS Number:
68758-65-6
IUPAC Name:
(2Z)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole;4-methylbenzenesulfonate
InChI:
InChI=1S/C27H25N2S.C7H8O3S/c1-3-28-19-18-21(22-12-7-8-14-24(22)28)11-9-15-26-29(4-2)27-23-13-6-5-10-20(23)16-17-25(27)30-26;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
CWULMQVIKZARHS-UHFFFAOYSA-M
EC Number:
272-150-7
Properties
Complexity:
836
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
580.185g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
580.761g/mol
Monoisotopic Mass:
580.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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