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136802-79-4

136802-79-4 | 1-(4-methylphenyl)-5-phenyl-1H-imidazole-2-thiol

CAS No: 136802-79-4 Catalog No: AG019NPG MDL No:MFCD06364989

Product Description

Catalog Number:
AG019NPG
Chemical Name:
1-(4-methylphenyl)-5-phenyl-1H-imidazole-2-thiol
CAS Number:
136802-79-4
Molecular Formula:
C16H14N2S
Molecular Weight:
266.3608
MDL Number:
MFCD06364989
IUPAC Name:
3-(4-methylphenyl)-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C16H14N2S/c1-12-7-9-14(10-8-12)18-15(11-17-16(18)19)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,19)
InChI Key:
ZFAPMVQZBBZJHD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(S)ncc1c1ccccc1

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.362g/mol
Monoisotopic Mass:
266.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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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