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89295-47-6 | 2,4-Thiazolidinedione, 5,5-dimethyl-3-(1-methylpropyl)-
CAS No: 89295-47-6 Catalog No: AG0087EY MDL No:
Product Description
Catalog Number:
AG0087EY
Chemical Name:
2,4-Thiazolidinedione, 5,5-dimethyl-3-(1-methylpropyl)-
CAS Number:
89295-47-6
Molecular Formula:
C9H15NO2S
Molecular Weight:
201.2859
IUPAC Name:
3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C9H15NO2S/c1-5-6(2)10-7(11)9(3,4)13-8(10)12/h6H,5H2,1-4H3
InChI Key:
VGAPQOHLFVNKMD-UHFFFAOYSA-N
SMILES:
CCC(N1C(=O)SC(C1=O)(C)C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.284g/mol
Monoisotopic Mass:
201.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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