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63123-22-8 | potassium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonate
CAS No: 63123-22-8 Catalog No: AG00F5QW MDL No:
Product Description
Catalog Number:
AG00F5QW
Chemical Name:
potassium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonate
CAS Number:
63123-22-8
IUPAC Name:
potassium;2-[(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate
InChI:
InChI=1S/C14H14N2O4S4.K/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);/q;+1/p-1/b13-11-;
InChI Key:
FONYXZUOCMKKGX-KEHAOADBSA-M
EC Number:
263-871-8
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
439.94g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.606g/mol
Monoisotopic Mass:
439.94g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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