+1 858-523-8231
Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
Home Other Building Blocks 33963-58-5
33963-58-5,MFCD06655321
Catalog No.:AA0038QN

33963-58-5 | 4-(Methylsulfinyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$169.00   $118.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0038QN
Chemical Name:
4-(Methylsulfinyl)benzoic acid
CAS Number:
33963-58-5
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD06655321
SMILES:
OC(=O)c1ccc(cc1)S(=O)C
Properties
Computed Properties
 
Complexity:
195  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1926,p.2085

14150-95-9    33963-58-5   
C13H12N2O3S 

[1]Londregan,AllynT.;Piotrowski,DavidW.;Xiao,Jun[Synlett,2013,vol.24,#20,p.2695-2700]

33963-58-5    75330-75-5   
(2R,4R)-2-(2-((1S,2S,6R,8S,8aR)-2,6-dimethyl-8-(((S)-2-methylbutanoyl)oxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)-6-oxotetrahydro-2H-pyran-4-yl4-(methylsulfinyl)benzoate 

[1]Acosta-Guzmán,Paola;Mahecha-Mahecha,Camilo;Gamba-Sánchez,Diego[Chemistry-AEuropeanJournal,2020,vol.26,#45,p.10348-10354]

Literature

Title: Sulfoxide stretching mode as a structural reporter via dual-frequency two-dimensional infrared spectroscopy.

Journal: The Journal of chemical physics 20101014

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 33963-58-5
13205-49-7

13205-49-7

 13205-48-6

13205-48-6

 20884-61-1

20884-61-1

 2449-35-6

2449-35-6

 5398-77-6

5398-77-6

 118939-09-6

118939-09-6
Building Blocks
More >
Tags:33963-58-5 Molecular Formula|33963-58-5 MDL|33963-58-5 SMILES|33963-58-5 4-(Methylsulfinyl)benzoic acid