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18331-34-5 | 4-Thiazolidinone, 3-ethyl-5-(phenylmethylene)-2-thioxo-
CAS No: 18331-34-5 Catalog No: AG0027IF MDL No:
Product Description
Catalog Number:
AG0027IF
Chemical Name:
4-Thiazolidinone, 3-ethyl-5-(phenylmethylene)-2-thioxo-
CAS Number:
18331-34-5
Molecular Formula:
C12H11NOS2
Molecular Weight:
249.3518
IUPAC Name:
5-benzylidene-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NOS2/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
ZQDPYAPUFMILTB-UHFFFAOYSA-N
SMILES:
CCN1C(=S)SC(=Cc2ccccc2)C1=O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.346g/mol
Monoisotopic Mass:
249.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Novel rhodanine derivatives induce growth inhibition followed by apoptosis. | Bioorganic & medicinal chemistry letters 20101101 |
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