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19334-79-3 | 3-(4-ethoxyphenyl)-5-ethyl-2-thioxo-1,3-thiazolidin-4-one
CAS No: 19334-79-3 Catalog No: AG0073E1 MDL No:
Product Description
Catalog Number:
AG0073E1
Chemical Name:
3-(4-ethoxyphenyl)-5-ethyl-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
19334-79-3
Molecular Formula:
C13H15NO2S2
Molecular Weight:
281.3937
IUPAC Name:
3-(4-ethoxyphenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H15NO2S2/c1-3-11-12(15)14(13(17)18-11)9-5-7-10(8-6-9)16-4-2/h5-8,11H,3-4H2,1-2H3
InChI Key:
ZPZLCTHKGBMFBQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)N1C(=S)SC(C1=O)CC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.388g/mol
Monoisotopic Mass:
281.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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