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Home > Imidazoles > 1325304-88-8
1325304-88-8 | 2-(4-methoxyphenyl)-4-phenyl-1H-imidazole-5-thiol
CAS No: 1325304-88-8 Catalog No: AG00HSO0 MDL No:MFCD22192621
Product Description
Catalog Number:
AG00HSO0
Chemical Name:
2-(4-methoxyphenyl)-4-phenyl-1H-imidazole-5-thiol
CAS Number:
1325304-88-8
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
MDL Number:
MFCD22192621
IUPAC Name:
2-(4-methoxyphenyl)-5-phenyl-1H-imidazole-4-thiol
InChI:
InChI=1S/C16H14N2OS/c1-19-13-9-7-12(8-10-13)15-17-14(16(20)18-15)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,17,18)
InChI Key:
PMQLOFNNWCITMP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(c([nH]1)S)c1ccccc1
Properties
Complexity:
301
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.361g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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