Home Other Building Blocks 1-methanesulfinyl-3,3-dimethylbutan-2-one

1-methanesulfinyl-3,3-dimethylbutan-2-one

CAS No.:
64084-17-9
Catalog Number:
AG01EJT1
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
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Product Description
Catalog Number:
AG01EJT1
Chemical Name:
1-methanesulfinyl-3,3-dimethylbutan-2-one
CAS Number:
64084-17-9
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
MDL Number:
MFCD20378568
IUPAC Name:
3,3-dimethyl-1-methylsulfinylbutan-2-one
InChI:
InChI=1S/C7H14O2S/c1-7(2,3)6(8)5-10(4)9/h5H2,1-4H3
InChI Key:
USJXTVWHVHBGEX-UHFFFAOYSA-N
SMILES:
CS(=O)CC(=O)C(C)(C)C
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties