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Home Pyridines 90842-92-5
90842-92-5,MFCD01038799
Catalog No.:AA00GTMZ

90842-92-5 | 4-Allyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol

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1g
95%
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$211.00   $148.00
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5g
95%
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$643.00   $450.00
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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:
AA00GTMZ
Chemical Name:
4-Allyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol
CAS Number:
90842-92-5
Molecular Formula:
C10H10N4S
Molecular Weight:
218.2782
MDL Number:
MFCD01038799
SMILES:
C=CCn1c(S)nnc1c1ccncc1
Properties
Computed Properties
 
Complexity:
294  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.2  

Downstream Synthesis Route
Ni(II)-(S)-BPB-D-Ala 
  90842-92-5    1227401-93-5    96293-17-3 

[1]TetrahedronAsymmetry,2012,vol.23,p.891-897

[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]

Literature

Title: 4-Allyl-5-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione: synthesis, experimental and theoretical characterization.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601

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

Title: Synthesis and structure elucidation of some new thioether derivatives of 1,2,4-triazoline-3-thiones and their antimicrobial activities.

Journal: Farmaco (Societa chimica italiana : 1989) 20011201

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Tags:90842-92-5 Molecular Formula|90842-92-5 MDL|90842-92-5 SMILES|90842-92-5 4-Allyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol