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26131-61-3,MFCD01164035
Catalog No.:AA002RQK

26131-61-3 | 4-Ethyl-5-phenyl-4h-1,2,4-triazole-3-thiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$172.00   $120.00
- +
5g
95%
in stock  
$685.00   $479.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002RQK
Chemical Name:
4-Ethyl-5-phenyl-4h-1,2,4-triazole-3-thiol
CAS Number:
26131-61-3
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD01164035
SMILES:
CCn1c(=S)[nH]nc1c1ccccc1
Properties
Properties
 
BP:
286.6°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route
74367-78-5    26131-61-3   
3-(3,5-dinitrobenzyl)sulfanyl-4-ethyl-5-phenyl-4H-1,2,4-triazole 

[1]JournalofMedicinalChemistry,2019,vol.62,p.8115-8139

Literature

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:26131-61-3 Molecular Formula|26131-61-3 MDL|26131-61-3 SMILES|26131-61-3 4-Ethyl-5-phenyl-4h-1,2,4-triazole-3-thiol
Catalog No.: AA002RQK
26131-61-3,MFCD01164035
26131-61-3 | 4-Ethyl-5-phenyl-4h-1,2,4-triazole-3-thiol
Pack Size： 1g
Purity： 95%
in stock
$172.00 $120.00
Pack Size： 5g
Purity： 95%
in stock
$685.00 $479.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002RQK
Chemical Name: 4-Ethyl-5-phenyl-4h-1,2,4-triazole-3-thiol
CAS Number: 26131-61-3
Molecular Formula: C10H11N3S
Molecular Weight: 205.2794
MDL Number: MFCD01164035
SMILES: CCn1c(=S)[nH]nc1c1ccccc1
Properties
BP: 286.6°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 256  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
74367-78-5    26131-61-3   
3-(3,5-dinitrobenzyl)sulfanyl-4-ethyl-5-phenyl-4H-1,2,4-triazole 

[1]JournalofMedicinalChemistry,2019,vol.62,p.8115-8139

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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