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65072-45-9 | hydrogen 1-(3-sulphonatopropyl)-2-[[3-(3-sulphonatopropyl)benzothiazol-2(3H)-ylidene]methyl]quinolinium
CAS No: 65072-45-9 Catalog No: AG00EYWI MDL No:
Product Description
Catalog Number:
AG00EYWI
Chemical Name:
hydrogen 1-(3-sulphonatopropyl)-2-[[3-(3-sulphonatopropyl)benzothiazol-2(3H)-ylidene]methyl]quinolinium
CAS Number:
65072-45-9
IUPAC Name:
3-[2-[[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]quinolin-1-ium-1-yl]propane-1-sulfonate
InChI:
InChI=1S/C23H24N2O6S3/c26-33(27,28)15-5-13-24-19(12-11-18-7-1-2-8-20(18)24)17-23-25(14-6-16-34(29,30)31)21-9-3-4-10-22(21)32-23/h1-4,7-12,17H,5-6,13-16H2,(H-,26,27,28,29,30,31)
InChI Key:
KPMOTKVHMBUWQP-UHFFFAOYSA-N
EC Number:
265-374-1
Properties
Complexity:
914
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.08g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
520.633g/mol
Monoisotopic Mass:
520.08g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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