Home Sulfos Methyl p-tolyl sulfone

Methyl p-tolyl sulfone

CAS No.:
3185-99-7
Catalog Number:
AG003S2E
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003S2E
Chemical Name:
Methyl p-tolyl sulfone
CAS Number:
3185-99-7
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD00014742
IUPAC Name:
1-methyl-4-methylsulfonylbenzene
InChI:
InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
InChI Key:
YYDNBUBMBZRNQQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)C
EC Number:
221-682-8
UNII:
TG77SM513A
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Role of iodine in the toxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in rats: ADME. Regulatory toxicology and pharmacology : RTP 20120401
Role of iodine in diiodomethyl-p-tolylsulfone induced reproductive toxicity in rats: proposed mode of action. Regulatory toxicology and pharmacology : RTP 20120401
[μ-Bis(diphenyl-phosphan-yl)methane]-tricarbon-yl(μ-p-toluene-sulfonyl-meth-yl isocyanato)(triphenyl-phosphane)ironplatinum(Fe-Pt). Acta crystallographica. Section E, Structure reports online 20120301
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
4-Pregnen-21-ol-3,20-dione-21-(4-bromobenzenesulfonate) (NSC 88915) and related novel steroid derivatives as tyrosyl-DNA phosphodiesterase (Tdp1) inhibitors. Journal of medicinal chemistry 20091126
1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-deca-hydro-pyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione. Acta crystallographica. Section E, Structure reports online 20091101
Reduction of disulfide bonds within anti-D results in enhanced Fcgamma receptor blockade. Transfusion 20090501
Enantioselective synthesis of natural polyoxygenated cyclohexanes and cyclohexenes from [(p-tolylsulfinyl)methyl]-p-quinols. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Study of regioselective methanesulfonylation of simple aromatics with methanesulfonic anhydride in the presence of zeolite catalysts. Organic & biomolecular chemistry 20041107
Properties