Home Bromides 91813-57-9
91813-57-9,MFCD01408750
Catalog No.:AA00GTNS

91813-57-9 | 4-Allyl-5-(4-bromophenyl)-4h-1,2,4-triazole-3-thiol

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1g
95%
in stock  
$211.00   $148.00
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5g
95%
in stock  
$643.00   $450.00
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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:
AA00GTNS
Chemical Name:
4-Allyl-5-(4-bromophenyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
91813-57-9
Molecular Formula:
C11H10BrN3S
Molecular Weight:
296.1862
MDL Number:
MFCD01408750
SMILES:
C=CCn1c(S)nnc1c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
321  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3  

Downstream Synthesis Route

[1]Khripak,S.M.;Kreka,M.I.;Dobosh,A.A.;Yakubets,V.I.[ChemistryofHeterocyclicCompounds,1984,vol.20,#6,p.690-693][KhimiyaGeterotsiklicheskikhSoedinenii,1984,vol.20,#6,p.843-846]

91813-57-9   
3-(4-Bromo-phenyl)-6-methyl-5,6-dihydro-thiazolo2,3-c1,2,4triazole 

[1]Strzemecka,Leokadia[PolishJournalofChemistry,1983,vol.57,#4/5/6,p.567-571]

Literature
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SDS
Tags:91813-57-9 Molecular Formula|91813-57-9 MDL|91813-57-9 SMILES|91813-57-9 4-Allyl-5-(4-bromophenyl)-4h-1,2,4-triazole-3-thiol