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125518-46-9 | 2,4-Thiazolidinedione, 5-(2-naphthalenylsulfonyl)-
CAS No: 125518-46-9 Catalog No: AG000NTF MDL No:
Product Description
Catalog Number:
AG000NTF
Chemical Name:
2,4-Thiazolidinedione, 5-(2-naphthalenylsulfonyl)-
CAS Number:
125518-46-9
Molecular Formula:
C13H9NO4S2
Molecular Weight:
307.3449
IUPAC Name:
5-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H9NO4S2/c15-11-12(19-13(16)14-11)20(17,18)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,(H,14,15,16)
InChI Key:
ITLAZBMGSXRIEF-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)S(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.338g/mol
Monoisotopic Mass:
306.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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