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88103-71-3 | 2,4-Thiazolidinedione, 5-methyl-3-(3-methylphenyl)-
CAS No: 88103-71-3 Catalog No: AG004G65 MDL No:
Product Description
Catalog Number:
AG004G65
Chemical Name:
2,4-Thiazolidinedione, 5-methyl-3-(3-methylphenyl)-
CAS Number:
88103-71-3
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
IUPAC Name:
5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H11NO2S/c1-7-4-3-5-9(6-7)12-10(13)8(2)15-11(12)14/h3-6,8H,1-2H3
InChI Key:
MDYMMJLUNZZXGB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N1C(=O)SC(C1=O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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