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6596-82-3,MFCD00617763
Catalog No.:AA00FBOU

6596-82-3 | 4,5-Diphenyl-4h-1,2,4-triazole-3-thiol

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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$344.00   $241.00
- +
5g
95%
in stock  
$1,175.00   $823.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FBOU
Chemical Name:
4,5-Diphenyl-4h-1,2,4-triazole-3-thiol
CAS Number:
6596-82-3
Molecular Formula:
C14H11N3S
Molecular Weight:
253.3222
MDL Number:
MFCD00617763
SMILES:
Sc1nnc(n1c1ccccc1)c1ccccc1
Properties
Properties
 
Form:
Solid  
MP:
287℃  

Computed Properties
 
Complexity:
341  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.2  

Downstream Synthesis Route
41526-42-5    6596-82-3   
3-(4,5-Diphenyl-4H-1,2,4triazol-3-ylsulfanylmethyl)-3H-benzothiazole-2-thione 

[1]Abdel-Rahman,M.A.;Ghattas,A.-B.A.G.;El-Saraf,G.A.;Khodary,A.[Phosphorus,SulfurandSiliconandtheRelatedElements,1993,vol.85,#1-4,p.183-192]

[1]PharmaceuticalChemistryJournal,1983,vol.17,p.476-479    Khimiko-FarmatsevticheskiiZhurnal,1983,vol.17,p.798-801

6596-82-3   
methylhalide 
  33199-66-5 

[1]EuropeanJournalofMedicinalChemistry,1991,vol.26,p.237-241

[1]Synthesis,2006,p.156-160

[1]RussianJournalofOrganicChemistry,2011,vol.47,p.1433-1435

Literature

Title: Inhibition of α-glucosidase and α-amylase by diaryl derivatives of imidazole-thione and 1,2,4-triazole-thiol.

Journal: European journal of medicinal chemistry 20110601

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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SDS
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Tags:6596-82-3 Molecular Formula|6596-82-3 MDL|6596-82-3 SMILES|6596-82-3 4,5-Diphenyl-4h-1,2,4-triazole-3-thiol