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89295-66-9 | 2,4-Thiazolidinedione, 5-(2-methylpropyl)-
CAS No: 89295-66-9 Catalog No: AG0040DC MDL No:
Product Description
Catalog Number:
AG0040DC
Chemical Name:
2,4-Thiazolidinedione, 5-(2-methylpropyl)-
CAS Number:
89295-66-9
Molecular Formula:
C7H11NO2S
Molecular Weight:
173.2327
IUPAC Name:
5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C7H11NO2S/c1-4(2)3-5-6(9)8-7(10)11-5/h4-5H,3H2,1-2H3,(H,8,9,10)
InChI Key:
XZSGWSPBFIKITE-UHFFFAOYSA-N
SMILES:
CC(CC1SC(=O)NC1=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.23g/mol
Monoisotopic Mass:
173.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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