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203171-92-0 | 2H-Pyran-2-one, 3-bromo-6-(4-chlorophenyl)-4-(methylthio)-
CAS No: 203171-92-0 Catalog No: AG0028P3 MDL No:
Product Description
Catalog Number:
AG0028P3
Chemical Name:
2H-Pyran-2-one, 3-bromo-6-(4-chlorophenyl)-4-(methylthio)-
CAS Number:
203171-92-0
Molecular Formula:
C12H8BrClO2S
Molecular Weight:
331.6127
IUPAC Name:
3-bromo-6-(4-chlorophenyl)-4-methylsulfanylpyran-2-one
InChI:
InChI=1S/C12H8BrClO2S/c1-17-10-6-9(16-12(15)11(10)13)7-2-4-8(14)5-3-7/h2-6H,1H3
InChI Key:
WTIVSRTXJLISCP-UHFFFAOYSA-N
SMILES:
CSc1cc(oc(=O)c1Br)c1ccc(cc1)Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.912g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.608g/mol
Monoisotopic Mass:
329.912g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Hepatoprotection by 3-bromo-6-(4-chlorophenyl)-4-methylthio-2H-pyran-2-one against experimentally induced liver injury in rats. | Acta pharmaceutica (Zagreb, Croatia) 20030601 |
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