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Home > Other Building Blocks > 113544-19-7
113544-19-7 | 4H-Thiopyran-4-one, 3-methyl-2-(methylthio)-6-phenyl-
CAS No: 113544-19-7 Catalog No: AG0008YS MDL No:
Product Description
Catalog Number:
AG0008YS
Chemical Name:
4H-Thiopyran-4-one, 3-methyl-2-(methylthio)-6-phenyl-
CAS Number:
113544-19-7
Molecular Formula:
C13H12OS2
Molecular Weight:
248.3638
IUPAC Name:
3-methyl-2-methylsulfanyl-6-phenylthiopyran-4-one
InChI:
InChI=1S/C13H12OS2/c1-9-11(14)8-12(16-13(9)15-2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
ITBYIGWFYKEXNK-UHFFFAOYSA-N
SMILES:
CSc1sc(cc(=O)c1C)c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.358g/mol
Monoisotopic Mass:
248.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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