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1010-53-3 | 2,4-Thiazolidinedione, 3-phenyl-
CAS No: 1010-53-3 Catalog No: AG0003GG MDL No:MFCD00094227
Product Description
Catalog Number:
AG0003GG
Chemical Name:
2,4-Thiazolidinedione, 3-phenyl-
CAS Number:
1010-53-3
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD00094227
IUPAC Name:
3-phenyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C9H7NO2S/c11-8-6-13-9(12)10(8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
WTGPITKQSNYMJM-UHFFFAOYSA-N
SMILES:
O=C1SCC(=O)N1c1ccccc1
NSC Number:
4745
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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