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25025-07-4,MFCD00079775
Catalog No.:AA006XNO

25025-07-4 | 4-(Methylsulfonyl) phenylacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$62.00   $43.00
- +
1g
98%
in stock  
$128.00   $90.00
- +
5g
98%
in stock  
$394.00   $276.00
- +
10g
98%
in stock  
$710.00   $497.00
- +
25g
98%
in stock  
$1,208.00   $846.00
- +
100g
98%
in stock  
$3,004.00 $2,103.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006XNO
Chemical Name:
4-(Methylsulfonyl) phenylacetonitrile
CAS Number:
25025-07-4
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD00079775
SMILES:
N#CCc1ccc(cc1)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
298  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route
25025-07-4   
2-(4-methanesulfonyl-phenyl)-acetamidine 

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1506]

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1506]

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1506]

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1506]

5815-08-7    25025-07-4   
C12H14N2O2S 

[1]Yeh,VinceS.C.;Beno,DavidW.A.;Brodjian,Sevan;Brune,MichaelE.;Cullen,StevenC.;Dayton,BrianD.;Dhaon,MadhupK.;Falls,HughD.;Gao,Ju;Grihalde,Nelson;Hajduk,Philip;Hansen,T.Matthew;Judd,AndrewS.;King,AndrewJ.;Klix,RusselC.;Larson,KellyJ.;Lau,YauY.;Marsh,KennanC.;Mittelstadt,ScottW.;Plata,Dan;Rozema,MichaelJ.;Segreti,JasonA.;Stoner,EricJ.;Voorbach,MartinJ.;Wang,Xiaojun;Xin,Xili;Zhao,Gang;Collins,ChristineA.;Cox,BryanF.;Reilly,ReginaM.;Kym,PhilipR.;Souers,AndrewJ.[JournalofMedicinalChemistry,2012,vol.55,#4,p.1751-1757]

Literature

Title: 2-[4-(Methyl-sulfon-yl)phen-yl]acetonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

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SDS
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Tags:25025-07-4 Molecular Formula|25025-07-4 MDL|25025-07-4 SMILES|25025-07-4 4-(Methylsulfonyl) phenylacetonitrile
Catalog No.: AA006XNO
25025-07-4,MFCD00079775
25025-07-4 | 4-(Methylsulfonyl) phenylacetonitrile
Pack Size： 250mg
Purity： 98%
in stock
$62.00 $43.00
Pack Size： 1g
Purity： 98%
in stock
$128.00 $90.00
Pack Size： 5g
Purity： 98%
in stock
$394.00 $276.00
Pack Size： 10g
Purity： 98%
in stock
$710.00 $497.00
Pack Size： 25g
Purity： 98%
in stock
$1,208.00 $846.00
Pack Size： 100g
Purity： 98%
in stock
$3,004.00 $2,103.00
Quantity
- +
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Technical Information
Catalog Number: AA006XNO
Chemical Name: 4-(Methylsulfonyl) phenylacetonitrile
CAS Number: 25025-07-4
Molecular Formula: C9H9NO2S
Molecular Weight: 195.2383
MDL Number: MFCD00079775
SMILES: N#CCc1ccc(cc1)S(=O)(=O)C
Properties
Complexity: 298  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
25025-07-4   
2-(4-methanesulfonyl-phenyl)-acetamidine 

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1506]

374725-45-8    25025-07-4 

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1506]

58058-86-9    25025-07-4 

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1506]

90536-66-6    25025-07-4 

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1506]

5815-08-7    25025-07-4   
C12H14N2O2S 

[1]Yeh,VinceS.C.;Beno,DavidW.A.;Brodjian,Sevan;Brune,MichaelE.;Cullen,StevenC.;Dayton,BrianD.;Dhaon,MadhupK.;Falls,HughD.;Gao,Ju;Grihalde,Nelson;Hajduk,Philip;Hansen,T.Matthew;Judd,AndrewS.;King,AndrewJ.;Klix,RusselC.;Larson,KellyJ.;Lau,YauY.;Marsh,KennanC.;Mittelstadt,ScottW.;Plata,Dan;Rozema,MichaelJ.;Segreti,JasonA.;Stoner,EricJ.;Voorbach,MartinJ.;Wang,Xiaojun;Xin,Xili;Zhao,Gang;Collins,ChristineA.;Cox,BryanF.;Reilly,ReginaM.;Kym,PhilipR.;Souers,AndrewJ.[JournalofMedicinalChemistry,2012,vol.55,#4,p.1751-1757]

Literature fold

Title: 2-[4-(Methyl-sulfon-yl)phen-yl]acetonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20110301

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