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478047-41-5 | 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[(4-methylphenyl)sulfanyl]ethan-1-one
CAS No: 478047-41-5 Catalog No: AG00IQ9C MDL No:MFCD02187099
Product Description
Catalog Number:
AG00IQ9C
Chemical Name:
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[(4-methylphenyl)sulfanyl]ethan-1-one
CAS Number:
478047-41-5
Molecular Formula:
C19H17NOS2
Molecular Weight:
339.4744
MDL Number:
MFCD02187099
IUPAC Name:
2-(4-methylphenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C19H17NOS2/c1-13-8-10-16(11-9-13)22-12-17(21)18-14(2)20-19(23-18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChI Key:
SDDVSWRPHZXCMK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SCC(=O)c1sc(nc1C)c1ccccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.471g/mol
Monoisotopic Mass:
339.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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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