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104351-51-1,MFCD01935992
Catalog No.:AA007Y24

104351-51-1 | 2-((4-Methylbenzyl)thio)benzoic acid

Pack Size
Purity
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Price(USD)
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1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
500mg
>95%
1 week  
$339.00   $238.00
- +
1g
>95%
1 week  
$414.00   $290.00
- +
5g
>95%
1 week  
$813.00   $569.00
- +
10g
>95%
1 week  
$1,212.00   $848.00
- +
25g
>95%
1 week  
$2,408.00   $1,686.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007Y24
Chemical Name:
2-((4-Methylbenzyl)thio)benzoic acid
CAS Number:
104351-51-1
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
MDL Number:
MFCD01935992
SMILES:
Cc1ccc(cc1)CSc1ccccc1C(=O)O
Properties
Computed Properties
 
Complexity:
272  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.8  

Downstream Synthesis Route

[1]Chhaya,P.N.;Nimbalkar,M.M.;Hosangadi,B.D.[JournalofOrganicChemistry,1986,vol.51,#23,p.4458-4460]

[1]Chhaya,P.N.;Nimbalkar,M.M.;Hosangadi,B.D.[JournalofOrganicChemistry,1986,vol.51,#23,p.4458-4460]

[1]Locationinpatent:experimentalpartPorter,BrianneL.;McClure,BethAnne;Abrams,EricR.;Engle,JamesT.;Ziegler,ChristopherJ.;Rack,JeffreyJ.[JournalofPhotochemistryandPhotobiologyA:Chemistry,2011,vol.217,#2-3,p.341-346]

[2]Liu,Dan;Chen,Min;Fang,Duowen;Jia,Ai-Quan;Zhang,Qian-Feng[JournalofChemicalCrystallography,2018,vol.48,#1-2,p.1-11]

[1]Locationinpatent:experimentalpartPorter,BrianneL.;McClure,BethAnne;Abrams,EricR.;Engle,JamesT.;Ziegler,ChristopherJ.;Rack,JeffreyJ.[JournalofPhotochemistryandPhotobiologyA:Chemistry,2011,vol.217,#2-3,p.341-346]

Literature
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SDS
Tags:104351-51-1 Molecular Formula|104351-51-1 MDL|104351-51-1 SMILES|104351-51-1 2-((4-Methylbenzyl)thio)benzoic acid