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89295-63-6 | 2,4-Thiazolidinedione, 5,5-bis(2-methylpropyl)-
CAS No: 89295-63-6 Catalog No: AG0087EU MDL No:
Product Description
Catalog Number:
AG0087EU
Chemical Name:
2,4-Thiazolidinedione, 5,5-bis(2-methylpropyl)-
CAS Number:
89295-63-6
Molecular Formula:
C11H19NO2S
Molecular Weight:
229.3391
IUPAC Name:
5,5-bis(2-methylpropyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H19NO2S/c1-7(2)5-11(6-8(3)4)9(13)12-10(14)15-11/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChI Key:
XOZWAZBXWIZMFA-UHFFFAOYSA-N
SMILES:
CC(CC1(CC(C)C)SC(=O)NC1=O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.338g/mol
Monoisotopic Mass:
229.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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