Home Other Building Blocks 1-(2-Methyl-5-phenylthiophen-3-yl)ethanone

1-(2-Methyl-5-phenylthiophen-3-yl)ethanone

CAS No.:
40932-63-6
Catalog Number:
AG003ITA
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
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Product Description
Catalog Number:
AG003ITA
Chemical Name:
1-(2-Methyl-5-phenylthiophen-3-yl)ethanone
CAS Number:
40932-63-6
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
MDL Number:
MFCD00151790
IUPAC Name:
1-(2-methyl-5-phenylthiophen-3-yl)ethanone
InChI:
InChI=1S/C13H12OS/c1-9(14)12-8-13(15-10(12)2)11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key:
GREAZYFTAJMZFD-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(sc1C)c1ccccc1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties