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64285-53-6 | 2-[4-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2-butenylidene]-3(2H)-benzothiazole-1-propanesulfonic acid
CAS No: 64285-53-6 Catalog No: AG00ETW4 MDL No:
Product Description
Catalog Number:
AG00ETW4
Chemical Name:
2-[4-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2-butenylidene]-3(2H)-benzothiazole-1-propanesulfonic acid
CAS Number:
64285-53-6
IUPAC Name:
3-[2-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid
InChI:
InChI=1S/C19H20N2O4S4/c1-2-20-18(22)16(28-19(20)26)10-5-6-11-17-21(12-7-13-29(23,24)25)14-8-3-4-9-15(14)27-17/h3-6,8-11H,2,7,12-13H2,1H3,(H,23,24,25)
InChI Key:
JLOOCJQAEWGRMY-UHFFFAOYSA-N
Properties
Complexity:
845
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.031g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
468.619g/mol
Monoisotopic Mass:
468.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.1
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