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Home > Imidazoles > 852400-51-2
852400-51-2 | 5-(4-Methylphenyl)-1-phenyl-1H-imidazole-2-thiol
CAS No: 852400-51-2 Catalog No: AG019O5U MDL No:MFCD06655540
Product Description
Catalog Number:
AG019O5U
Chemical Name:
5-(4-Methylphenyl)-1-phenyl-1H-imidazole-2-thiol
CAS Number:
852400-51-2
Molecular Formula:
C16H14N2S
Molecular Weight:
266.3608
MDL Number:
MFCD06655540
IUPAC Name:
4-(4-methylphenyl)-3-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C16H14N2S/c1-12-7-9-13(10-8-12)15-11-17-16(19)18(15)14-5-3-2-4-6-14/h2-11H,1H3,(H,17,19)
InChI Key:
GVSVUBISEJFHJQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cnc(n1c1ccccc1)S
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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