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4543-58-2,MFCD00463245
Catalog No.:AA006ZKS

4543-58-2 | 2,4,6-Trimethylbenzenesulfonamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$20.00   $14.00
- +
5g
98%(HPLC)
in stock  
$72.00   $50.00
- +
25g
96
in stock  
$81.00   $57.00
- +
100g
96
in stock  
$83.00   $58.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006ZKS
Chemical Name:
2,4,6-Trimethylbenzenesulfonamide
CAS Number:
4543-58-2
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD00463245
SMILES:
Cc1cc(C)cc(c1S(=O)(=O)N)C
NSC Number:
87569
Properties
Computed Properties
 
Complexity:
256  
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:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Heterocycles,1994,vol.37,p.1511-1520

[1]AngewandteChemie-InternationalEdition,2004,vol.43,p.6125-6128

[2]Chemistry-AnAsianJournal,2018,vol.13,p.2854-2867

[3]Patent:US2017/253569,2017,A1.Locationinpatent:Paragraph0054;0446-0447

[4]JournalofMedicinalChemistry,1999,vol.42,p.4485-4499

[5]BioorganicandMedicinalChemistry,2017,vol.25,p.4397-4406

[6]ChemicalCommunications,2020,vol.56,p.5010-5013

[1]Reddy;Sarkar;Valasinas;Marton;Basu;Frydman[JournalofMedicinalChemistry,2001,vol.44,#3,p.404-417]

[1]Reddy;Sarkar;Valasinas;Marton;Basu;Frydman[JournalofMedicinalChemistry,2001,vol.44,#3,p.404-417]

[1]Mahalingam;Wu,Xiongyu;Wan,Yiqian;Alterman,Mathias[SyntheticCommunications,2005,vol.35,#3,p.417-425]

[2]Wan,Yiqian;Wu,Xiongyu;Kannan,MahalingamA.;Alterman,Mathias[TetrahedronLetters,2003,vol.44,#24,p.4523-4525]

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:4543-58-2 Molecular Formula|4543-58-2 MDL|4543-58-2 SMILES|4543-58-2 2,4,6-Trimethylbenzenesulfonamide
Catalog No.: AA006ZKS
4543-58-2,MFCD00463245
4543-58-2 | 2,4,6-Trimethylbenzenesulfonamide
Pack Size： 1g
Purity： 96%
in stock
$20.00 $14.00
Pack Size： 5g
Purity： 98%(HPLC)
in stock
$72.00 $50.00
Pack Size： 25g
Purity： 96
in stock
$81.00 $57.00
Pack Size： 100g
Purity： 96
in stock
$83.00 $58.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA006ZKS
Chemical Name: 2,4,6-Trimethylbenzenesulfonamide
CAS Number: 4543-58-2
Molecular Formula: C9H13NO2S
Molecular Weight: 199.2700
MDL Number: MFCD00463245
SMILES: Cc1cc(C)cc(c1S(=O)(=O)N)C
NSC Number: 87569
Properties
Complexity: 256  
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: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
62-53-3    71100-55-5    4543-58-2    25116-87-4    3034-38-6 

[1]Heterocycles,1994,vol.37,p.1511-1520

773-64-8    4543-58-2 

[1]AngewandteChemie-InternationalEdition,2004,vol.43,p.6125-6128

[2]Chemistry-AnAsianJournal,2018,vol.13,p.2854-2867

[3]Patent:US2017/253569,2017,A1.Locationinpatent:Paragraph0054;0446-0447

[4]JournalofMedicinalChemistry,1999,vol.42,p.4485-4499

[5]BioorganicandMedicinalChemistry,2017,vol.25,p.4397-4406

[6]ChemicalCommunications,2020,vol.56,p.5010-5013

4543-58-2    304862-46-2    304862-71-3 

[1]Reddy;Sarkar;Valasinas;Marton;Basu;Frydman[JournalofMedicinalChemistry,2001,vol.44,#3,p.404-417]

4543-58-2    304862-53-1    304862-67-7 

[1]Reddy;Sarkar;Valasinas;Marton;Basu;Frydman[JournalofMedicinalChemistry,2001,vol.44,#3,p.404-417]

161452-12-6    4543-58-2 

[1]Mahalingam;Wu,Xiongyu;Wan,Yiqian;Alterman,Mathias[SyntheticCommunications,2005,vol.35,#3,p.417-425]

[2]Wan,Yiqian;Wu,Xiongyu;Kannan,MahalingamA.;Alterman,Mathias[TetrahedronLetters,2003,vol.44,#24,p.4523-4525]

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