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Home > Imidazoles > 906128-02-7
906128-02-7 | 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CAS No: 906128-02-7 Catalog No: AG019HTA MDL No:MFCD03956551
Product Description
Catalog Number:
AG019HTA
Chemical Name:
5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CAS Number:
906128-02-7
Molecular Formula:
C18H14N2O3S
Molecular Weight:
338.3804
MDL Number:
MFCD03956551
IUPAC Name:
5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C18H14N2O3S/c1-11-2-5-13(6-3-11)20-17(21)14(19-18(20)24)8-12-4-7-15-16(9-12)23-10-22-15/h2-9H,10H2,1H3,(H,19,24)
InChI Key:
RVZSJPLTIWLRMU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1C(=S)NC(=Cc2ccc3c(c2)OCO3)C1=O
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.381g/mol
Monoisotopic Mass:
338.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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