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89295-68-1 | 2,4-Thiazolidinedione, 5-(2,2-dimethylpropyl)-
CAS No: 89295-68-1 Catalog No: AG0087ES MDL No:
Product Description
Catalog Number:
AG0087ES
Chemical Name:
2,4-Thiazolidinedione, 5-(2,2-dimethylpropyl)-
CAS Number:
89295-68-1
Molecular Formula:
C8H13NO2S
Molecular Weight:
187.2593
IUPAC Name:
5-(2,2-dimethylpropyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C8H13NO2S/c1-8(2,3)4-5-6(10)9-7(11)12-5/h5H,4H2,1-3H3,(H,9,10,11)
InChI Key:
XHURIQCFYKYKLJ-UHFFFAOYSA-N
SMILES:
CC(CC1SC(=O)NC1=O)(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.257g/mol
Monoisotopic Mass:
187.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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