Home Other Building Blocks 1-[3-methoxy-4-(methylsulfanyl)phenyl]ethan-1-one

1-[3-methoxy-4-(methylsulfanyl)phenyl]ethan-1-one

CAS No.:
32467-74-6
Catalog Number:
AG01A7WT
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG01A7WT
Chemical Name:
1-[3-methoxy-4-(methylsulfanyl)phenyl]ethan-1-one
CAS Number:
32467-74-6
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD15209556
IUPAC Name:
1-(3-methoxy-4-methylsulfanylphenyl)ethanone
InChI:
InChI=1S/C10H12O2S/c1-7(11)8-4-5-10(13-3)9(6-8)12-2/h4-6H,1-3H3
InChI Key:
QZQBQPARTIDLKX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1SC)C(=O)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties