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88419-01-6 | 2,4-Thiazolidinedione, 3-(2-oxo-2-phenylethyl)-
CAS No: 88419-01-6 Catalog No: AG004HUG MDL No:
Product Description
Catalog Number:
AG004HUG
Chemical Name:
2,4-Thiazolidinedione, 3-(2-oxo-2-phenylethyl)-
CAS Number:
88419-01-6
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
IUPAC Name:
3-phenacyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H9NO3S/c13-9(8-4-2-1-3-5-8)6-12-10(14)7-16-11(12)15/h1-5H,6-7H2
InChI Key:
QQNMJMDYFPPGTE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CN1C(=O)CSC1=O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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