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Home > Imidazoles > 852388-86-4
852388-86-4 | 1-(2-methoxyphenyl)-5-phenyl-1H-imidazole-2-thiol
CAS No: 852388-86-4 Catalog No: AG019O4D MDL No:MFCD06655461
Product Description
Catalog Number:
AG019O4D
Chemical Name:
1-(2-methoxyphenyl)-5-phenyl-1H-imidazole-2-thiol
CAS Number:
852388-86-4
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
MDL Number:
MFCD06655461
IUPAC Name:
3-(2-methoxyphenyl)-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C16H14N2OS/c1-19-15-10-6-5-9-13(15)18-14(11-17-16(18)20)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,20)
InChI Key:
LCWBURIJWSVRGX-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1c(S)ncc1c1ccccc1
Properties
Complexity:
390
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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