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211388-25-9 | 2,4-Thiazolidinedione, 5-[[4-(methylthio)phenyl]methylene]-
CAS No: 211388-25-9 Catalog No: AG002LAT MDL No:
Product Description
Catalog Number:
AG002LAT
Chemical Name:
2,4-Thiazolidinedione, 5-[[4-(methylthio)phenyl]methylene]-
CAS Number:
211388-25-9
Molecular Formula:
C11H9NO2S2
Molecular Weight:
251.3247
IUPAC Name:
5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H9NO2S2/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)
InChI Key:
CVDCRGZIPLYTEX-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C=C1SC(=O)NC1=O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.318g/mol
Monoisotopic Mass:
251.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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