Home Sulfos Ethynyl p-tolyl sulfone

Ethynyl p-tolyl sulfone

CAS No.:
13894-21-8
Catalog Number:
AG0019WE
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$94
- +
1g
98%
In Stock USA
United States
$163
- +
5g
98%
In Stock USA
United States
$488
- +
10g
98%
In Stock USA
United States
$900
- +
25g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG0019WE
Chemical Name:
Ethynyl p-tolyl sulfone
CAS Number:
13894-21-8
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
MDL Number:
MFCD00191647
IUPAC Name:
1-ethynylsulfonyl-4-methylbenzene
InChI:
InChI=1S/C9H8O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChI Key:
FTHKWIMQNXVEHW-UHFFFAOYSA-N
SMILES:
C#CS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.221g/mol
Monoisotopic Mass:
180.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Asymmetric α-2-tosylethenylation of N,N-dialkyl-L-amino acid esters via the formation of non-racemic ammonium enolates. Organic & biomolecular chemistry 20120114
Catalytic generation of cesium acetylide by CsF: synthesis of 1,3-benzothiazines from cyclic sulfenamides. Organic letters 20090702
1-[(4,5-Dimethyl-cyclo-hexa-1,4-dien-1-yl)sulfon-yl]-4-methyl-benzene. Acta crystallographica. Section E, Structure reports online 20080901
Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations. Bioorganic & medicinal chemistry letters 20070401
Ring-expansion of tertiary cyclic alpha-vinylamines by tandem conjugate addition to (p-toluenesulfonyl)ethyne and formal 3-aza-Cope rearrangement. Chemical communications (Cambridge, England) 20061001
On the electronic effects of OH groups. Synthesis and investigation of tetrahydroxylated azabicycloheptanes. Organic & biomolecular chemistry 20050421
Total stereochemical control in the addition of thiols to p-toluenesulfonylacetylene. synthesis of Z- and E-2-sulfanylvinylsulfonyl derivatives. The Journal of organic chemistry 20050121
Efficient and practical method for synthesizing optically active indan-2-ols by the Ti(O-i-Pr)(4)/2 i-PrMgCl-mediated metalative Reppe reaction. The Journal of organic chemistry 20030613
Properties