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1531-80-2,MFCD00995231
Catalog No.:AA00ACU7

1531-80-2 | 2-(Benzylsulfanyl)benzenecarboxylic acid

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250mg
95%
1 week  
$105.00   $73.00
- +
1g
95%
1 week  
$282.00   $198.00
- +
5g
95%
1 week  
$985.00   $690.00
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10g
>95%
1 week  
$1,710.00   $1,197.00
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25g
>95%
1 week  
$3,505.00   $2,454.00
- +
50g
>95%
1 week  
$6,197.00   $4,338.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ACU7
Chemical Name:
2-(Benzylsulfanyl)benzenecarboxylic acid
CAS Number:
1531-80-2
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD00995231
SMILES:
OC(=O)c1ccccc1SCc1ccccc1
NSC Number:
99111
Properties
Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.5  

Downstream Synthesis Route

[1]ChemischeBerichte,1939,vol.72,p.1257,1269

[1]Lombardino,J.G.;Wiseman,E.H.[JournalofMedicinalChemistry,1970,vol.13,p.206-210]

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

[2]Locationinpatent:experimentalpartMcClure,BethAnne;Abrams,EricR.;Rack,JeffreyJ.[JournaloftheAmericanChemicalSociety,2010,vol.132,#15,p.5428-5436]

[3]Porta,ExequielO.J.;BofillVerdaguer,Ignasi;Perez,Consuelo;Banchio,Claudia;FerreiraDeAzevedo,Mauro;Katzin,AlejandroM.;Labadie,GuillermoR.[MedChemComm,2019,vol.10,#9,p.1599-1605]

[4]Volonterio,Alessandro;Bravo,Pierfrancesco;Zanda,Matteo[TetrahedronLetters,2002,vol.43,#37,p.6537-6540]

[5]Volonterio,Alessandro;Zanda,Matteo[TetrahedronLetters,2005,vol.46,#50,p.8723-8726]

[6]Locationinpatent:experimentalpartPinna,Giovanni;Bellucci,MariaCristina;Malpezzi,Luciana;Pisani,Laura;Superchi,Stefano;Volonterio,Alessandro;Zanda,Matteo[Tetrahedron,2011,vol.67,#29,p.5268-5281]

[1]Tetrahedron,2011,vol.67,p.5268-5281

[1]Radic,GordanaP.;Gloovic,VericaV.;Radojevic,IvanaD.;Stefanovic,OlgicaD.;Comic,LjiljanaR.;Ratkovic,ZoranR.;Valkonen,Arto;Rissanen,Kari;Trifunovic,SreckoR.[Polyhedron,2012,vol.31,#1,p.69-76]

[2]Mijajlović,MarinaŽ.;Nikolić,MilošV.;Jevtić,VericaV.;Ratković,ZoranR.;Marković,BojanaSimović;Volarević,Vladislav;Arsenijević,NebojšaN.;Novaković,SladjanaB.;Bogdanović,GoranA.;Trifunović,SrećkoR.;Radić,GordanaP.[Polyhedron,2015,vol.90,p.34-40]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:1531-80-2 Molecular Formula|1531-80-2 MDL|1531-80-2 SMILES|1531-80-2 2-(Benzylsulfanyl)benzenecarboxylic acid