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478047-46-0 | 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-(phenylsulfanyl)ethan-1-one
CAS No: 478047-46-0 Catalog No: AG00IPCP MDL No:MFCD02187106
Product Description
Catalog Number:
AG00IPCP
Chemical Name:
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-(phenylsulfanyl)ethan-1-one
CAS Number:
478047-46-0
Molecular Formula:
C18H15NOS2
Molecular Weight:
325.4478
MDL Number:
MFCD02187106
IUPAC Name:
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone
InChI:
InChI=1S/C18H15NOS2/c1-13-17(16(20)12-21-15-10-6-3-7-11-15)22-18(19-13)14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChI Key:
PXYASROIBLNMFW-UHFFFAOYSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccc1)CSc1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.444g/mol
Monoisotopic Mass:
325.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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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