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Home > Imidazoles > 125751-03-3
125751-03-3 | 1-(4-methoxyphenyl)-4-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 125751-03-3 Catalog No: AG019OB8 MDL No:MFCD06655833
Product Description
Catalog Number:
AG019OB8
Chemical Name:
1-(4-methoxyphenyl)-4-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
125751-03-3
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD06655833
IUPAC Name:
3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2O2S/c1-7-10(14)13(11(16)12-7)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3,(H,12,16)
InChI Key:
NEDIULYIOXJRFI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C(=NC(C1=O)C)S
Properties
Complexity:
300
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:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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