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5219-65-8,MFCD00215509
Catalog No.:AA00D8V9

5219-65-8 | 3-(Phenylthio)propanoic acid

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100mg
95%
in stock  
$31.00   $22.00
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250mg
95%
in stock  
$37.00   $26.00
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1g
95%
in stock  
$75.00   $53.00
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25g
97%
in stock  
$1,729.00   $1,210.00
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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:
AA00D8V9
Chemical Name:
3-(Phenylthio)propanoic acid
CAS Number:
5219-65-8
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD00215509
SMILES:
OC(=O)CCSc1ccccc1
Properties
Computed Properties
 
Complexity:
142  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Greshametal.[JournaloftheAmericanChemicalSociety,1949,vol.71,p.661]

[1]Node,Manabu;Nishide,Kiyoharu;Ochiai,Masahito;Fuji,Kaoru;Fujita,Eiichi[JournalofOrganicChemistry,1981,vol.46,p.5163-5166]

[2]Greshametal.[JournaloftheAmericanChemicalSociety,1949,vol.71,p.661]CurrentPatentAssignee:RAYTHEONTECHNOLOGIESCORPORATION;CollinsAerospace(in:RaytheonTechnologies)-US2449992,1945,A

[3]Trost,B.M.;Kunze,R.A.[JournalofOrganicChemistry,1974,vol.39,p.2648-2650]

[1]Haynes,RichardK.;Vonwiller,SimoneC.;Stokes,JohnP.;Merlino,LouisaM.[AustralianJournalofChemistry,1988,vol.41,#6,p.881-895]

[2]Kita;Shibata;Tamura;Miki[ChemicalandPharmaceuticalBulletin,1991,vol.39,#9,p.2225-2232]

[3]Petropoulosetal.[JournaloftheAmericanChemicalSociety,1953,vol.75,p.1130,1133]Challenger;Hollingworth[JournaloftheChemicalSociety,1959,p.61,66]

[4]Dhiman,Shefali[OrientalJournalofChemistry,2021,vol.37,#1,p.250-255]

[1]Cai,Jin;Wang,Yuhong;Chen,Xixi;Ji,Min[ChemicalBiologyandDrugDesign,2022,vol.99,#4,p.634-649]

[2]Arndtetal.[ChemischeBerichte,1951,vol.84,p.333,340,341,][85<1952>1150,1158]Nasarowetal.[ZhurnalObshcheiKhimii,1958,vol.28,p.960,966;engl.Ausg.S.936,940]

[3]Kresze,G.etal.[ChemischeBerichte,1961,vol.94,p.2060-2072]

[1]ChemicalBiologyandDrugDesign,2022,vol.99,p.634-649

[2]JournalofChemicalResearch,2004,p.394-395

[3]Patent:CN110698456,2020,A.Locationinpatent:Paragraph0020;0023-0025

[4]Patent:WO2006/122771,2006,A2.Locationinpatent:Page/Pagecolumn61-62

[5]LettersinOrganicChemistry,2020,vol.17,p.294-302

[6]BioorganicandMedicinalChemistry,2009,vol.17,p.4569-4574

[7]ChemischeBerichte,1923,vol.56,p.1822

[8]ChemischeBerichte,1923,vol.56,p.1275    ChemischeBerichte,1925,vol.58,p.1632

[9]JournaloftheChemicalSociety,1951,p.1909,1913

[10]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1958,vol.78,p.624,626    Chem.Abstr.,1958,p.18392

[11]EuropeanJournalofOrganicChemistry,2003,p.4852-4861

[12]RSCAdvances,2014,vol.4,p.24619-24634

[13]OrganicLetters,2016,vol.18,p.4986-4989

[14]Molecules,2018,vol.23

[15]Molecules,2018,vol.23

[16]Synlett,2018,vol.29,p.2071-2075

[17]JournalofHeterocyclicChemistry,2019,vol.56,p.1672-1683

[18]MedicinalChemistryResearch,2019,vol.28,p.2184-2199

[19]OrganicLetters,2020,vol.22,p.1155-1159

[20]OrganicandBiomolecularChemistry,2021,vol.19,p.5758-5761

Literature
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