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478040-10-7 | 1-(4-methylphenyl)-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
CAS No: 478040-10-7 Catalog No: AG00IT3E MDL No:MFCD02186200
Product Description
Catalog Number:
AG00IT3E
Chemical Name:
1-(4-methylphenyl)-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
CAS Number:
478040-10-7
Molecular Formula:
C18H16N2OS
Molecular Weight:
308.3974
MDL Number:
MFCD02186200
IUPAC Name:
1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
InChI:
InChI=1S/C18H16N2OS/c1-14-7-9-15(10-8-14)17(21)13-22-18-19-11-12-20(18)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChI Key:
BVTQVXKWNPSFEE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)CSc1nccn1c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.399g/mol
Monoisotopic Mass:
308.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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