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Home > Imidazoles > 1105190-49-5
1105190-49-5 | 5-(4-Methoxyphenyl)-1-phenyl-1,3-dihydro-2H-imidazole-2-thione
CAS No: 1105190-49-5 Catalog No: AG01AQOO MDL No:MFCD16653452
Product Description
Catalog Number:
AG01AQOO
Chemical Name:
5-(4-Methoxyphenyl)-1-phenyl-1,3-dihydro-2H-imidazole-2-thione
CAS Number:
1105190-49-5
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
MDL Number:
MFCD16653452
IUPAC Name:
4-(4-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C16H14N2OS/c1-19-14-9-7-12(8-10-14)15-11-17-16(20)18(15)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,20)
InChI Key:
COWPIVQIEPAUCM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(n1c1ccccc1)S
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.361g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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