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Home > Imidazoles > 101444-70-6
101444-70-6 | (5E)-2-mercapto-5-(4-methoxybenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
CAS No: 101444-70-6 Catalog No: AG0090OJ MDL No:MFCD01848498
Product Description
Catalog Number:
AG0090OJ
Chemical Name:
(5E)-2-mercapto-5-(4-methoxybenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
CAS Number:
101444-70-6
Molecular Formula:
C17H14N2O2S
Molecular Weight:
310.3703
MDL Number:
MFCD01848498
IUPAC Name:
(5E)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C17H14N2O2S/c1-21-14-9-7-12(8-10-14)11-15-16(20)19(17(22)18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,22)/b15-11+
InChI Key:
NSVSDYCWRPBVAF-RVDMUPIBSA-N
SMILES:
COc1ccc(cc1)/C=C\1/N=C(N(C1=O)c1ccccc1)S
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
310.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.371g/mol
Monoisotopic Mass:
310.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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