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Home Sulfos 4-Toluenesulfonylacetone

4-Toluenesulfonylacetone

CAS No.:
5366-49-4
Catalog Number:
AG003D49
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$53
- +
5g
98%
1 week
United States
$67
- +
25g
98%
1 week
United States
$137
- +
100g
98%
1 week
United States
$344
- +
Product Description
Catalog Number:
AG003D49
Chemical Name:
4-Toluenesulfonylacetone
CAS Number:
5366-49-4
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD00026240
IUPAC Name:
1-(4-methylphenyl)sulfonylpropan-2-one
InChI:
InChI=1S/C10H12O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6H,7H2,1-2H3
InChI Key:
NDQXJNHOGLQSMB-UHFFFAOYSA-N
SMILES:
CC(=O)CS(=O)(=O)c1ccc(cc1)C
EC Number:
226-353-2
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Preparation and reductive transformations of vinylogous sulfonamides (beta-sulfonyl enamines), and application to the synthesis of indolizidines. Organic & biomolecular chemistry 20041207
Properties