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87780-48-1 | 4-Thiazolidinone, 2,3-bis(1-oxido-2-pyridinyl)-
CAS No: 87780-48-1 Catalog No: AG004KYN MDL No:
Product Description
Catalog Number:
AG004KYN
Chemical Name:
4-Thiazolidinone, 2,3-bis(1-oxido-2-pyridinyl)-
CAS Number:
87780-48-1
Molecular Formula:
C13H11N3O3S
Molecular Weight:
289.3097
IUPAC Name:
2,3-bis(1-oxidopyridin-1-ium-2-yl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H11N3O3S/c17-12-9-20-13(10-5-1-3-7-14(10)18)16(12)11-6-2-4-8-15(11)19/h1-8,13H,9H2
InChI Key:
MDMMXOSPOCEQFQ-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1cccc[n+]1[O-])c1cccc[n+]1[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.309g/mol
Monoisotopic Mass:
289.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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