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478029-64-0 | 1-{2-methylimidazo[1,2-a]pyridin-3-yl}-2-[(4-methylphenyl)sulfanyl]ethan-1-one
CAS No: 478029-64-0 Catalog No: AG00ISBZ MDL No:MFCD02186293
Product Description
Catalog Number:
AG00ISBZ
Chemical Name:
1-{2-methylimidazo[1,2-a]pyridin-3-yl}-2-[(4-methylphenyl)sulfanyl]ethan-1-one
CAS Number:
478029-64-0
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
MDL Number:
MFCD02186293
IUPAC Name:
1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone
InChI:
InChI=1S/C17H16N2OS/c1-12-6-8-14(9-7-12)21-11-15(20)17-13(2)18-16-5-3-4-10-19(16)17/h3-10H,11H2,1-2H3
InChI Key:
RMFPWYPUTRMOMU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SCC(=O)c1c(C)nc2n1cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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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