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21584-13-4 | 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonic acid
CAS No: 21584-13-4 Catalog No: AG00BQ84 MDL No:
Product Description
Catalog Number:
AG00BQ84
Chemical Name:
5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonic acid
CAS Number:
21584-13-4
IUPAC Name:
2-[(5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
InChI:
InChI=1S/C14H14N2O4S4/c1-2-15-9-5-3-4-6-10(9)22-13(15)11-12(17)16(14(21)23-11)7-8-24(18,19)20/h3-6H,2,7-8H2,1H3,(H,18,19,20)/b13-11+
InChI Key:
GGHDIYKCZSGHKB-ACCUITESSA-N
EC Number:
244-459-7
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
401.984g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.516g/mol
Monoisotopic Mass:
401.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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