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Home > Imidazoles > 793678-94-1
793678-94-1 | 1-(2,4-dimethylphenyl)-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS No: 793678-94-1 Catalog No: AG019NNL MDL No:MFCD06363468
Product Description
Catalog Number:
AG019NNL
Chemical Name:
1-(2,4-dimethylphenyl)-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS Number:
793678-94-1
Molecular Formula:
C18H18N2S
Molecular Weight:
294.4139
MDL Number:
MFCD06363468
IUPAC Name:
3-(2,4-dimethylphenyl)-4-(4-methylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C18H18N2S/c1-12-4-7-15(8-5-12)17-11-19-18(21)20(17)16-9-6-13(2)10-14(16)3/h4-11H,1-3H3,(H,19,21)
InChI Key:
HWFDVUZANJFRNO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cnc(n1c1ccc(cc1C)C)S
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.416g/mol
Monoisotopic Mass:
294.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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