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89295-62-5 | 2,4-Thiazolidinedione, 5,5-dipropyl-
CAS No: 89295-62-5 Catalog No: AG0040WV MDL No:
Product Description
Catalog Number:
AG0040WV
Chemical Name:
2,4-Thiazolidinedione, 5,5-dipropyl-
CAS Number:
89295-62-5
Molecular Formula:
C9H15NO2S
Molecular Weight:
201.2859
IUPAC Name:
5,5-dipropyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C9H15NO2S/c1-3-5-9(6-4-2)7(11)10-8(12)13-9/h3-6H2,1-2H3,(H,10,11,12)
InChI Key:
MALPXCBPFJKRKQ-UHFFFAOYSA-N
SMILES:
CCCC1(CCC)SC(=O)NC1=O
Properties
Complexity:
222
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:
1
Isotope Atom Count:
0
Molecular Weight:
201.284g/mol
Monoisotopic Mass:
201.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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