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92014-77-2

92014-77-2 | 3-benzyl-1,3-thiazolidin-2-one 1,1-dioxide

CAS No: 92014-77-2 Catalog No: AG0062OH MDL No:

Product Description

Catalog Number:
AG0062OH
Chemical Name:
3-benzyl-1,3-thiazolidin-2-one 1,1-dioxide
CAS Number:
92014-77-2
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
3-benzyl-1,1-dioxo-1,3-thiazolidin-2-one
InChI:
InChI=1S/C10H11NO3S/c12-10-11(6-7-15(10,13)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
JACQRRDDSFGBLH-UHFFFAOYSA-N
SMILES:
O=C1N(CCS1(=O)=O)Cc1ccccc1
NSC Number:
122646

Properties

Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
Synthesis and biological evaluation of thiazolidine-2-one 1,1-dioxide as inhibitors of Escherichia coli beta-ketoacyl-ACP-synthase III (FabH). Bioorganic & medicinal chemistry letters 20070215

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