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Home > Imidazoles > 72799-34-9
72799-34-9 | 3-(2-ETHOXYPHENYL)-2-THIOXOIMIDAZOLIDIN-4-ONE
CAS No: 72799-34-9 Catalog No: AG01AODX MDL No:MFCD03422808
Product Description
Catalog Number:
AG01AODX
Chemical Name:
3-(2-ETHOXYPHENYL)-2-THIOXOIMIDAZOLIDIN-4-ONE
CAS Number:
72799-34-9
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD03422808
IUPAC Name:
3-(2-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2O2S/c1-2-15-9-6-4-3-5-8(9)13-10(14)7-12-11(13)16/h3-6H,2,7H2,1H3,(H,12,16)
InChI Key:
VBMZKZDJYBDUDD-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1N1C(=S)NCC1=O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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