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Home > Imidazoles > 730951-45-8
730951-45-8 | 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol
CAS No: 730951-45-8 Catalog No: AG019IFT MDL No:MFCD04621704
Product Description
Catalog Number:
AG019IFT
Chemical Name:
4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol
CAS Number:
730951-45-8
Molecular Formula:
C17H16N2S
Molecular Weight:
280.3873
MDL Number:
MFCD04621704
IUPAC Name:
5-(3,4-dimethylphenyl)-3-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C17H16N2S/c1-12-8-9-14(10-13(12)2)16-11-19(17(20)18-16)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,18,20)
InChI Key:
UXIXDRDSHJKFSV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)c1cn(c(n1)S)c1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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