Home Thiazoles 5447-37-0
5447-37-0,MFCD03812608
Catalog No.:AA00DARE

5447-37-0 | (5E)-5-(4-Hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one

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1g
95%
in stock  
$123.00   $86.00
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5g
95%
in stock  
$489.00   $343.00
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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:
AA00DARE
Chemical Name:
(5E)-5-(4-Hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one
CAS Number:
5447-37-0
Molecular Formula:
C11H9NO3S2
Molecular Weight:
267.3241
MDL Number:
MFCD03812608
SMILES:
COc1cc(ccc1O)/C=C\1/SC(=NC1=O)S
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
370  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Bourahla,Khadidja;Derdour,Aïcha;Rahmouni,Mustapha;Carreaux,François;Bazureau,JeanPierre[TetrahedronLetters,2007,vol.48,#33,p.5785-5789]

[2]Bazureau,Jean-Pierre;Bourahla,Khadidja;Carreaux,François;Charlier,Thierry;Durieu,Emilie;Guihéneuf,Solène;LeGuével,Rémy;Limanton,Emmanuelle;Lozach,Olivier;Meijer,Laurent;Paquin,Ludovic;Rahmouni,Mustapha[Pharmaceuticals,2021,vol.14,#11]

[3]Brun,Elodie;Safer,Abdelmounaim;Carreaux,Franois;Bourahla,Khadidja;L'Helgoua'ch,Jean-Martial;Bazureau,Jean-Pierre;Villalgordo,JoseManuel[Molecules,2015,vol.20,#6,p.11617-11631]

[4]Locationinpatent:experimentalpartOpletalova,Veronika;Dolezel,Jan;Kralova,Katarina;Pesko,Matus;Kunes,Jiri;Jampilek,Josef[Molecules,2011,vol.16,#6,p.5207-5227]

[5]Locationinpatent:experimentalpartYang,Ben-Yong;Yang,De-Hong[JournalofChemicalResearch,2011,vol.35,#4,p.238-239]

[6]Mendgen,Thomas;Steuer,Christian;Klein,ChristianD.[JournalofMedicinalChemistry,2012,vol.55,#2,p.743-753]

[7]CurrentPatentAssignee:PUSANNATIONALUNIVERSITY-US2014/23603,2014,A1Locationinpatent:Paragraph0203;0207

[8]CurrentPatentAssignee:PUSANNATIONALUNIVERSITY-KR101677122,2016,B1Locationinpatent:Paragraph0280;0287

[9]Molnar,Maja;Brahmbhatt,Harshad;Rastija,Vesna;Pavić,Valentina;Komar,Mario;Karnaš,Maja;Babić,Jurislav[Molecules,2018,vol.23,#8,p.1DUMMY]

[10]Li,Chenge;Plamont,Marie-Aude;Sladitschek,HannaL.;Rodrigues,Vanessa;Aujard,Isabelle;Neveu,Pierre;LeSaux,Thomas;Jullien,Ludovic;Gautier,Arnaud[ChemicalScience,2017,vol.8,#8,p.5598-5605]

[11]Bargellini[AttidellaAccademiaNazionaledeiLincei,ClassediScienzeFisiche,MatematicheeNaturali,Rendiconti,1906,vol.<5>15I,p.42][GazzettaChimicaItaliana,1906,vol.36II,p.140]

[12]Jindra[CollectionofCzechoslovakChemicalCommunications,1947,vol.12,p.368,373]

[13]Fisher;Hibbert[JournaloftheAmericanChemicalSociety,1947,vol.69,p.1208]

[14]Iwao;Tomino[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1956,vol.76,p.755][Chem.Abstr.,1957,p.376]

[15]Lapiere[JournaldePharmaciedeBelgique,<NS>11<1956>3,5]

[16]Bargellini[AttidellaAccademiaNazionaledeiLincei,ClassediScienzeFisiche,MatematicheeNaturali,Rendiconti,1906,vol.<5>15I,p.42][GazzettaChimicaItaliana,1906,vol.36II,p.140]

[17]Irvine,MarkW.;Patrick,GrahamL.;Kewney,Justin;Hastings,StuartF.;MacKenzie,SimonJ.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#6,p.2032-2037]

Literature
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SDS
Tags:5447-37-0 Molecular Formula|5447-37-0 MDL|5447-37-0 SMILES|5447-37-0 (5E)-5-(4-Hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one