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852388-95-5

852388-95-5 | 1-(3-methoxyphenyl)-5-phenyl-1H-imidazole-2-thiol

CAS No: 852388-95-5 Catalog No: AG019O4G MDL No:MFCD06655465

Product Description

Catalog Number:
AG019O4G
Chemical Name:
1-(3-methoxyphenyl)-5-phenyl-1H-imidazole-2-thiol
CAS Number:
852388-95-5
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
MDL Number:
MFCD06655465
IUPAC Name:
3-(3-methoxyphenyl)-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C16H14N2OS/c1-19-14-9-5-8-13(10-14)18-15(11-17-16(18)20)12-6-3-2-4-7-12/h2-11H,1H3,(H,17,20)
InChI Key:
MGRPQDYHNRJIHF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1c(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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