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158562-98-2 | 2,4-Thiazolidinedione, 5-[[4-[2-(methylamino)ethoxy]phenyl]methyl]-
CAS No: 158562-98-2 Catalog No: AG001QBA MDL No:
Product Description
Catalog Number:
AG001QBA
Chemical Name:
2,4-Thiazolidinedione, 5-[[4-[2-(methylamino)ethoxy]phenyl]methyl]-
CAS Number:
158562-98-2
Molecular Formula:
C13H16N2O3S
Molecular Weight:
280.3427
IUPAC Name:
5-[[4-[2-(methylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H16N2O3S/c1-14-6-7-18-10-4-2-9(3-5-10)8-11-12(16)15-13(17)19-11/h2-5,11,14H,6-8H2,1H3,(H,15,16,17)
InChI Key:
BPSKNLFJDYBECE-UHFFFAOYSA-N
SMILES:
CNCCOc1ccc(cc1)CC1SC(=O)NC1=O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.342g/mol
Monoisotopic Mass:
280.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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