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67800-91-3 | ethyl 3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium sulphate
CAS No: 67800-91-3 Catalog No: AG00FP1S MDL No:
Product Description
Catalog Number:
AG00FP1S
Chemical Name:
ethyl 3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium sulphate
CAS Number:
67800-91-3
IUPAC Name:
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;ethyl sulfate
InChI:
InChI=1S/C22H23N2S2.C2H6O4S/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;1-2-6-7(3,4)5/h6-15H,4-5H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
ORGLOPDBXCEQCS-UHFFFAOYSA-M
EC Number:
267-115-8
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
504.121g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.678g/mol
Monoisotopic Mass:
504.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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