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18527-12-3,MFCD00170621
Catalog No.:AA007TIA

18527-12-3 | 2-((4-Chlorophenyl)thio)propanoic acid

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1mg
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$299.00   $209.00
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5mg
>90%
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$319.00   $223.00
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10mg
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$358.00   $250.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007TIA
Chemical Name:
2-((4-Chlorophenyl)thio)propanoic acid
CAS Number:
18527-12-3
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
MDL Number:
MFCD00170621
SMILES:
CC(C(=O)O)Sc1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Kuliev,A.M.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1968,vol.4,#5,p.800-801][ZhurnalOrganicheskoiKhimii,1968,vol.4,#5,p.822-824]

[1]Lauder,Kate;Anselmi,Silvia;Finnigan,JamesD.;Qi,Yuyin;Charnock,SimonJ.;Castagnolo,Daniele[Chemistry-AEuropeanJournal,2020,vol.26,#46,p.10422-10426]

[2]Kuliev,A.M.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1968,vol.4,#5,p.800-801][ZhurnalOrganicheskoiKhimii,1968,vol.4,#5,p.822-824]

[3]Gualtieri;Bottalico;Calandrella;Dei;Giovannoni;Mealli;Romanelli;Scapecchi;Teodori;Galeotti;Ghelardini;Giotti;Bartolini[JournalofMedicinalChemistry,1994,vol.37,#11,p.1712-1719]

[4]Sparatore,Anna;Sparatore,Fabio[IlFarmaco,2001,vol.56,#3,p.169-174]

[5]Yang,Xing;Birman,VladimirB.[AngewandteChemie-InternationalEdition,2011,vol.50,#24,p.5553-5555]

[6]Yang,Xing;Birman,VladimirB.[Chemistry-AEuropeanJournal,2011,vol.17,#40,p.11296-11304]

[1]CurrentPatentAssignee:ELILILLY&CO-GB1176339,1970,A[Chem.Abstr.,1972,vol.76,#153348][Chem.Abstr.,1972,vol.76,#153348]

[1]Gualtieri;Bottalico;Calandrella;Dei;Giovannoni;Mealli;Romanelli;Scapecchi;Teodori;Galeotti;Ghelardini;Giotti;Bartolini[JournalofMedicinalChemistry,1994,vol.37,#11,p.1712-1719]

[2]Sparatore,Anna;Sparatore,Fabio[IlFarmaco,2001,vol.56,#3,p.169-174]

[3]Domingues,NelsonL.C.;Mondino,MirtaG.;Reis,AdrianaK.C.A.;Rittner,Roberto;Lima,FilipeS.;Olivato,PauloR.[MagneticResonanceinChemistry,2007,vol.45,#1,p.87-89]

[1]Romstedt;Lei;Feller;Witiak;Loiodice;Tortorella[IlFarmaco,1996,vol.51,#2,p.107-114]

Literature
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SDS
Tags:18527-12-3 Molecular Formula|18527-12-3 MDL|18527-12-3 SMILES|18527-12-3 2-((4-Chlorophenyl)thio)propanoic acid