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Home Sulfos Di-p-tolyl sulfone

Di-p-tolyl sulfone

CAS No.:
599-66-6
Catalog Number:
AG003PQL
Molecular Formula:
C14H14O2S
Molecular Weight:
246.3248
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Product Description
Catalog Number:
AG003PQL
Chemical Name:
Di-p-tolyl sulfone
CAS Number:
599-66-6
Molecular Formula:
C14H14O2S
Molecular Weight:
246.3248
MDL Number:
MFCD00041332
IUPAC Name:
1-methyl-4-(4-methylphenyl)sulfonylbenzene
InChI:
InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
WEAYCYAIVOIUMG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
EC Number:
209-969-6
NSC Number:
208
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.324g/mol
Monoisotopic Mass:
246.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Use of simple docking methods to screen a virtual library for heteroactivators of cytochrome P450 2C9. Journal of medicinal chemistry 20070322
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Synthesis of substituted quinolines using the dianion addition of N-Boc-anilines and alpha-tolylsulfonyl-alpha,beta-unsaturated ketones. The Journal of organic chemistry 20021227
Properties