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478029-65-1 | 1-{2-methylimidazo[1,2-a]pyridin-3-yl}-2-(phenylsulfanyl)ethan-1-one
CAS No: 478029-65-1 Catalog No: AG00IP4K MDL No:MFCD02186294
Product Description
Catalog Number:
AG00IP4K
Chemical Name:
1-{2-methylimidazo[1,2-a]pyridin-3-yl}-2-(phenylsulfanyl)ethan-1-one
CAS Number:
478029-65-1
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
MDL Number:
MFCD02186294
IUPAC Name:
1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone
InChI:
InChI=1S/C16H14N2OS/c1-12-16(18-10-6-5-9-15(18)17-12)14(19)11-20-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChI Key:
FARUBGQZBUXMEL-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)nc2n1cccc2)CSc1ccccc1
Properties
Complexity:
343
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.361g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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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