Catalog No.:AA00C8V1

3652-31-1 | 4-Methyl-5-pyridin-3-yl-4h-1,2,4-triazole-3-thiol

Name: Name:4-Methyl-5-pyridin-3-yl-4h-1,2,4-triazole-3-thiol
Brand: AABLOCKS
SKU: AA00C8V1
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250mg

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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:

AA00C8V1

Chemical Name:

4-Methyl-5-pyridin-3-yl-4h-1,2,4-triazole-3-thiol

CAS Number:

3652-31-1

Molecular Formula:

C8H8N4S

Molecular Weight:

192.2409

MDL Number:

MFCD00798376

SMILES:

Cn1c(S)nnc1c1cccnc1

Properties

Computed Properties

Complexity:

251

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

0.6

Downstream Synthesis Route

59-67-6

6610-29-3

3652-31-1

[1]CurrentPatentAssignee:INDIVIORPLC-WO2017/21920,2017,A1Locationinpatent:Paragraph0547;0548

[2]CurrentPatentAssignee:ASTRAZENECAPLC-WO2004/14881,2004,A2Locationinpatent:Page111-112

[3]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]

[4]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]

[5]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

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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