Home Pyridines 3652-32-2
3652-32-2,MFCD00112607
Catalog No.:AA00BZ3S

3652-32-2 | 4-Methyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol

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250mg
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500mg
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1g
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BZ3S
Chemical Name:
4-Methyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol
CAS Number:
3652-32-2
Molecular Formula:
C8H8N4S
Molecular Weight:
192.2409
MDL Number:
MFCD00112607
SMILES:
Cn1c(S)nnc1c1ccncc1
Properties
Computed Properties
 
Complexity:
245  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Romaine,IanM.;Taylor,RobertW.;Saidu,SamsudeenP.;Kim,Kwangho;Sulikowski,GaryA.;Zwiebel,LaurenceJ.;Waterson,AlexG.[BioorganicandMedicinalChemistryLetters,2014,vol.24,#12,p.2613-2616]Romaine,IanM.;Taylor,RobertW.;Saidu,SamsudeenP.;Kim,Kwangho;Sulikowski,GaryA.;Zwiebel,LaurenceJ.;Waterson,AlexG.[BioorganicandMedicinalChemistryLetters,2014,vol.24,#12,p.2613-2616]

[1]CurrentPatentAssignee:INDIVIORPLC-WO2017/21920,2017,A1Locationinpatent:Paragraph0555;0556

[2]Micheli,Fabrizio;Cremonesi,Susanna;Semeraro,Teresa;Tarsi,Luca;Tomelleri,Silvia;Cavanni,Paolo;Oliosi,Beatrice;Perdon,Elisabetta;Sava,Anna;Zonzini,Laura;Feriani,Aldo;Braggio,Simone;Heidbreder,Christian[BioorganicandMedicinalChemistryLetters,2016,vol.26,#4,p.1329-1332]

[3]Micheli,Fabrizio;Bernardelli,Andrea;Bianchi,Federica;Braggio,Simone;Castelletti,Laura;Cavallini,Palmina;Cavanni,Paolo;Cremonesi,Susanna;Cin,MicheleDal;Feriani,Aldo;Oliosi,Beatrice;Semeraro,Teresa;Tarsi,Luca;Tomelleri,Silvia;Wong,Andrea;Visentini,Filippo;Zonzini,Laura;Heidbreder,Christian[BioorganicandMedicinalChemistry,2016,vol.24,#8,p.1619-1636]

[4]Micheli,Fabrizio;Bacchi,Alessia;Braggio,Simone;Castelletti,Laura;Cavallini,Palmina;Cavanni,Paolo;Cremonesi,Susanna;DalCin,Michele;Feriani,Aldo;Gehanne,Sylvie;Kajbaf,Mahmud;Marchió,Luciano;Nola,Selena;Oliosi,Beatrice;Pellacani,Annalisa;Perdonà,Elisabetta;Sava,Anna;Semeraro,Teresa;Tarsi,Luca;Tomelleri,Silvia;Wong,Andrea;Visentini,Filippo;Zonzini,Laura;Heidbreder,Christian[JournalofMedicinalChemistry,2016,vol.59,#18,p.8549-8576]

Literature
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SDS
Tags:3652-32-2 Molecular Formula|3652-32-2 MDL|3652-32-2 SMILES|3652-32-2 4-Methyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol