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67003-48-9,MFCD06373463
Catalog No.:AA005RDW

67003-48-9 | 4-[(Methylsulfanyl)methyl]benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$112.00   $78.00
- +
250mg
98%
in stock  
$178.00   $125.00
- +
1g
98%
in stock  
$411.00 $288.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005RDW
Chemical Name:
4-[(Methylsulfanyl)methyl]benzoic acid
CAS Number:
67003-48-9
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD06373463
SMILES:
CSCc1ccc(cc1)C(=O)O
Properties
Properties
 
BP:
327.8°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Holland,HerbertL.;Brown,FrancesM.;Larsen,BrettG.[TetrahedronAsymmetry,1995,vol.6,#7,p.1561-1568]

67003-48-9   
4-((S)-Methanesulfinylmethyl)-benzoicacid 
 
4-((R)-Methanesulfinylmethyl)-benzoicacid 

[1]TenBrink,HildaB.;Holland,HerbertL.;Schoemaker,HansE.;VanLingen,Hester;Wever,Ron[TetrahedronAsymmetry,1999,vol.10,#23,p.4563-4572]

Mn12(OAc)16(H2O)4O12*2AcOH*4H2O 
  67003-48-9   
Mn12(α-methylthio-4-toluicacid-H)16(H2O)4O12 

[1]Pineider;Mannini;Sangregorio;Gorini;Sessoli[InorganicaChimicaActa,2008,vol.361,#14-15,p.3944-3950]

Literature
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SDS
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Tags:67003-48-9 Molecular Formula|67003-48-9 MDL|67003-48-9 SMILES|67003-48-9 4-[(Methylsulfanyl)methyl]benzoic acid
Catalog No.: AA005RDW
67003-48-9,MFCD06373463
67003-48-9 | 4-[(Methylsulfanyl)methyl]benzoic acid
Pack Size： 100mg
Purity： 98%
in stock
$112.00 $78.00
Pack Size： 250mg
Purity： 98%
in stock
$178.00 $125.00
Pack Size： 1g
Purity： 98%
in stock
$411.00 $288.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA005RDW
Chemical Name: 4-[(Methylsulfanyl)methyl]benzoic acid
CAS Number: 67003-48-9
Molecular Formula: C9H10O2S
Molecular Weight: 182.2395
MDL Number: MFCD06373463
SMILES: CSCc1ccc(cc1)C(=O)O
Properties
BP: 327.8°C at 760 mmHg  
Storage: Keep in dry area;2-8℃;  
Complexity: 151  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
XLogP3: 2.3  
Downstream Synthesis Route
168028-51-1    67003-48-9 

[1]Holland,HerbertL.;Brown,FrancesM.;Larsen,BrettG.[TetrahedronAsymmetry,1995,vol.6,#7,p.1561-1568]

67003-48-9   
4-((S)-Methanesulfinylmethyl)-benzoicacid 
 
4-((R)-Methanesulfinylmethyl)-benzoicacid 

[1]TenBrink,HildaB.;Holland,HerbertL.;Schoemaker,HansE.;VanLingen,Hester;Wever,Ron[TetrahedronAsymmetry,1999,vol.10,#23,p.4563-4572]

Mn12(OAc)16(H2O)4O12*2AcOH*4H2O 
  67003-48-9   
Mn12(α-methylthio-4-toluicacid-H)16(H2O)4O12 

[1]Pineider;Mannini;Sangregorio;Gorini;Sessoli[InorganicaChimicaActa,2008,vol.361,#14-15,p.3944-3950]

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