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51291-31-7,MFCD02091585
Catalog No.:AA00DCRE

51291-31-7 | 5-Benzyl-4-methyl-4h-1,2,4-triazole-3-thiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$261.00   $183.00
- +
5g
95%
in stock  
$685.00   $479.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DCRE
Chemical Name:
5-Benzyl-4-methyl-4h-1,2,4-triazole-3-thiol
CAS Number:
51291-31-7
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD02091585
SMILES:
Cn1c(nnc1S)Cc1ccccc1
Properties
Properties
 
BP:
300.4°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Iwasaki,Shigeo[Heterocycles,1982,vol.17,p.125-138]

[1]Iwasaki,Shigeo[Heterocycles,1982,vol.17,p.125-138]

C10H11N3OS 
  51291-31-7 

[1]Meng,Na;Yu,Wensheng;Suzuki,Takao;Chen,Maofen;Qi,Zhiqi;Hu,Bin;Bao,Jianming;Debenham,JohnS.;Mazzola,Robert;Duffy,JosephL.[JournalofOrganicChemistry,2021,vol.86,#8,p.5560-5567]

31643-49-9    51291-31-7   
C18H13N5S 

[1]Demirbaş,Ümit;Öztürk,Dilek;Akçay,HakkıTürker;Durmuş,Mahmut;Menteşe,Emre;Kantekin,Halit[JournalofCoordinationChemistry,2022,vol.75,#5-6,p.629-636]

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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SDS
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Tags:51291-31-7 Molecular Formula|51291-31-7 MDL|51291-31-7 SMILES|51291-31-7 5-Benzyl-4-methyl-4h-1,2,4-triazole-3-thiol