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89295-64-7 | 2,4-Thiazolidinedione, 5,5-dipentyl-
CAS No: 89295-64-7 Catalog No: AG0040DD MDL No:
Product Description
Catalog Number:
AG0040DD
Chemical Name:
2,4-Thiazolidinedione, 5,5-dipentyl-
CAS Number:
89295-64-7
Molecular Formula:
C13H23NO2S
Molecular Weight:
257.3922
IUPAC Name:
5,5-dipentyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H23NO2S/c1-3-5-7-9-13(10-8-6-4-2)11(15)14-12(16)17-13/h3-10H2,1-2H3,(H,14,15,16)
InChI Key:
WLSARMYWMNLKDC-UHFFFAOYSA-N
SMILES:
CCCCCC1(CCCCC)SC(=O)NC1=O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.392g/mol
Monoisotopic Mass:
257.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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