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23517-75-1 | 4-Thiazolidinone, 5-butyl-3-(4-ethoxyphenyl)-2-thioxo-
CAS No: 23517-75-1 Catalog No: AG002NJG MDL No:
Product Description
Catalog Number:
AG002NJG
Chemical Name:
4-Thiazolidinone, 5-butyl-3-(4-ethoxyphenyl)-2-thioxo-
CAS Number:
23517-75-1
Molecular Formula:
C15H19NO2S2
Molecular Weight:
309.4469
IUPAC Name:
5-butyl-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H19NO2S2/c1-3-5-6-13-14(17)16(15(19)20-13)11-7-9-12(10-8-11)18-4-2/h7-10,13H,3-6H2,1-2H3
InChI Key:
WCTHJFQWCCCEMA-UHFFFAOYSA-N
SMILES:
CCCCC1SC(=S)N(C1=O)c1ccc(cc1)OCC
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.442g/mol
Monoisotopic Mass:
309.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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