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138417-37-5,MFCD00662794
Catalog No.:AA001907

138417-37-5 | 4-Methyl-5-(4-methylphenyl)-4h-1,2,4-triazole-3-thiol

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1g
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5g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001907
Chemical Name:
4-Methyl-5-(4-methylphenyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
138417-37-5
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD00662794
SMILES:
Cc1ccc(cc1)c1n[nH]c(=S)n1C
Properties
Computed Properties
 
Complexity:
267  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Downstream Synthesis Route

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

[2]Zhang,Xiaohua;Chen,Fei;Petrella,Alessandro;Chacón-Huete,Franklin;Covone,Jason;Tsai,Teng-Wei;Yu,Ching-Ching;Forgione,Pat;Kwan,DavidH.[ACSChemicalBiology,2019,vol.14,#4,p.715-724]

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

[2]Zhang,Xiaohua;Chen,Fei;Petrella,Alessandro;Chacón-Huete,Franklin;Covone,Jason;Tsai,Teng-Wei;Yu,Ching-Ching;Forgione,Pat;Kwan,DavidH.[ACSChemicalBiology,2019,vol.14,#4,p.715-724]

138417-37-5   
3-Methanesulfinyl-4-methyl-5-p-tolyl-4H-1,2,4triazole 

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

138417-37-5   
3-Methanesulfonyl-4-methyl-5-p-tolyl-4H-1,2,4triazole 

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:138417-37-5 Molecular Formula|138417-37-5 MDL|138417-37-5 SMILES|138417-37-5 4-Methyl-5-(4-methylphenyl)-4h-1,2,4-triazole-3-thiol