Home Other Building Blocks 101268-22-8
101268-22-8,MFCD00026314
Catalog No.:AA000412
101268-22-8 | 3,3-Dimethyl-1-tosylbutan-2-one
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1mg
3 weeks  
$215.00   $151.00
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5mg
3 weeks  
$232.00   $162.00
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10mg
3 weeks  
$265.00   $186.00
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20mg
3 weeks  
$325.00   $228.00
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  • Technical Information
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Technical Information
Catalog Number:
AA000412
Chemical Name:
3,3-Dimethyl-1-tosylbutan-2-one
CAS Number:
101268-22-8
Molecular Formula:
C13H18O3S
Molecular Weight:
254.3452
MDL Number:
MFCD00026314
IUPAC Name:
3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-one
InChI:
InChI=1S/C13H18O3S/c1-10-5-7-11(8-6-10)17(15,16)9-12(14)13(2,3)4/h5-8H,9H2,1-4H3
InChI Key:
HQISUXUFXCVRIR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CC(=O)C(C)(C)C
NSC Number:
100210
Properties
Computed Properties
 
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.344g/mol
Monoisotopic Mass:
254.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
101268-22-8 
3,3-Dimethyl-1-tosylbutan-2-one 
ACMC-20eqwj 
AC1L6CNZ 
NCIOpen2_006598 
SCHEMBL8528981 
CTK0G8340 
DTXSID80295194 
HQISUXUFXCVRIR-UHFFFAOYSA-N 
ZINC153622 
KS-000028QE 
ZX-AT009364 
1-(4-Toluenesulfonyl)-3,3-dimethylbutane-2-one 
MFCD00026314 
OR2000 
AKOS005110462 
MCULE-9781116806 
MS-6654 
NSC-100210 
ZB005497 
BC4125397 
ST50950841 
1-(p-toluene-sulfonyl)-3,3-dimethyl-2-butanone 
SBB058976 
1-(p-toluenesulfonyl)-3,3-dimethyl-2-butanone 
1-(p-toluenesulfonyl)-3,3-dimethylbutan-2-one 
3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-one 
3,3-dimethyl-1-[(4-methylphenyl)sulfonyl]-2-butanone 
Not Available 
CID264831 
1-(4-Toluenesulfonyl)-3,3-dimethylbutan-2-one 
2-Butanone, 3,3-dimethyl-1-[(4-methylphenyl)sulfonyl]- 
1-(4-toluenesulphonyl)-3,3-dimethylbutane-2-one 
3,3-dimethyl-1-(4-methylbenzenesulfonyl)butan-2-one 
3,3-dimethyl-1-[(4-methylphenyl)sulfonyl]butan-2-one 
1-Tosyl-3,3-dimethyl-2-butanone 
NSC100210 
Literature
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