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38942-51-7,MFCD00662793
Catalog No.:AA007798

38942-51-7 | 4-Methyl-5-phenyl-4h-1,2,4-triazole-3-thiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$145.00   $102.00
- +
1g
95%
in stock  
$245.00   $172.00
- +
5g
95%
in stock  
$978.00   $685.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007798
Chemical Name:
4-Methyl-5-phenyl-4h-1,2,4-triazole-3-thiol
CAS Number:
38942-51-7
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
MDL Number:
MFCD00662793
SMILES:
Cn1c(S)nnc1c1ccccc1
Properties
Computed Properties
 
Complexity:
243  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Ivanova,NataliaV.;Sviridov,SergeyI.;Shorshnev,SergeyV.;Stepanov,AleksanderE.[Synthesis,2006,#1,p.156-160]

74367-78-5    38942-51-7   
3-(3,5-dinitrobenzyl)sulfanyl-4-methyl-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

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

Quotation Request
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SDS
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Tags:38942-51-7 Molecular Formula|38942-51-7 MDL|38942-51-7 SMILES|38942-51-7 4-Methyl-5-phenyl-4h-1,2,4-triazole-3-thiol
Catalog No.: AA007798
38942-51-7,MFCD00662793
38942-51-7 | 4-Methyl-5-phenyl-4h-1,2,4-triazole-3-thiol
Pack Size： 250mg
Purity： 95%
in stock
$145.00 $102.00
Pack Size： 1g
Purity： 95%
in stock
$245.00 $172.00
Pack Size： 5g
Purity： 95%
in stock
$978.00 $685.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007798
Chemical Name: 4-Methyl-5-phenyl-4h-1,2,4-triazole-3-thiol
CAS Number: 38942-51-7
Molecular Formula: C9H9N3S
Molecular Weight: 191.2529
MDL Number: MFCD00662793
SMILES: Cn1c(S)nnc1c1ccccc1
Properties
Complexity: 243  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
38942-51-7    881845-15-4 

[1]Ivanova,NataliaV.;Sviridov,SergeyI.;Shorshnev,SergeyV.;Stepanov,AleksanderE.[Synthesis,2006,#1,p.156-160]

74367-78-5    38942-51-7   
3-(3,5-dinitrobenzyl)sulfanyl-4-methyl-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

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 Cytology20060501

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