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114370-98-8 | 4,6(1H,5H)-Pyrimidinedione, dihydro-5-[(2-hydroxyphenyl)methylene]-2-thioxo-
CAS No: 114370-98-8 Catalog No: AG000B7C MDL No:
Product Description
Catalog Number:
AG000B7C
Chemical Name:
4,6(1H,5H)-Pyrimidinedione, dihydro-5-[(2-hydroxyphenyl)methylene]-2-thioxo-
CAS Number:
114370-98-8
Molecular Formula:
C11H8N2O3S
Molecular Weight:
248.2578
IUPAC Name:
5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C11H8N2O3S/c14-8-4-2-1-3-6(8)5-7-9(15)12-11(17)13-10(7)16/h1-5,14H,(H2,12,13,15,16,17)
InChI Key:
RGLBWQAEHZVAMS-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)C(=Cc2ccccc2O)C(=O)N1
NSC Number:
98010
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.256g/mol
Monoisotopic Mass:
248.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Discovery of (Z)-5-(4-methoxybenzylidene)thiazolidine-2,4-dione, a readily available and orally active glitazone for the treatment of concanavalin A-induced acute liver injury of BALB/c mice. | Journal of medicinal chemistry 20100114 |
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