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329207-64-9 | (5Z)-5-(3-ETHOXY-4-HYDROXYBENZYLIDENE)-2-THIOXOIMIDAZOLIDIN-4-ONE
CAS No: 329207-64-9 Catalog No: AG007IEQ MDL No:
Product Description
Catalog Number:
AG007IEQ
Chemical Name:
(5Z)-5-(3-ETHOXY-4-HYDROXYBENZYLIDENE)-2-THIOXOIMIDAZOLIDIN-4-ONE
CAS Number:
329207-64-9
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
IUPAC Name:
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C12H12N2O3S/c1-2-17-10-6-7(3-4-9(10)15)5-8-11(16)14-12(18)13-8/h3-6,15H,2H2,1H3,(H2,13,14,16,18)
InChI Key:
NCGDHAYFUHTVJF-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1O)/C=C/1\NC(=S)NC1=O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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