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80590-50-7,MFCD09839752
Catalog No.:AA00G3GM

80590-50-7 | 5-(2-Chlorophenyl)-4-methyl-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:
AA00G3GM
Chemical Name:
5-(2-Chlorophenyl)-4-methyl-4h-1,2,4-triazole-3-thiol
CAS Number:
80590-50-7
Molecular Formula:
C9H8ClN3S
Molecular Weight:
225.6979
MDL Number:
MFCD09839752
SMILES:
Clc1ccccc1c1nnc(n1C)S
Properties
Computed Properties
 
Complexity:
279  
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:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

80590-50-7    74-88-4   
3-(2-chlorophenyl)-4-methyl-5-methylthio-4H-1,2,4-triazole 

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

[1]Duan,Wen-Gui;Huang,Mei;Li,Bao-Yu;Lin,Gui-Shan[Molecules,2021,vol.26,#22]

(-)-menthylchloroacetate 
  80590-50-7   
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl-2-((5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate 

[1]Duan,Wen-Gui;Huang,Mei;Li,Bao-Yu;Lin,Gui-Shan[Molecules,2021,vol.26,#22]

Literature
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SDS
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Tags:80590-50-7 Molecular Formula|80590-50-7 MDL|80590-50-7 SMILES|80590-50-7 5-(2-Chlorophenyl)-4-methyl-4h-1,2,4-triazole-3-thiol
Catalog No.: AA00G3GM
80590-50-7,MFCD09839752
80590-50-7 | 5-(2-Chlorophenyl)-4-methyl-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: AA00G3GM
Chemical Name: 5-(2-Chlorophenyl)-4-methyl-4h-1,2,4-triazole-3-thiol
CAS Number: 80590-50-7
Molecular Formula: C9H8ClN3S
Molecular Weight: 225.6979
MDL Number: MFCD09839752
SMILES: Clc1ccccc1c1nnc(n1C)S
Properties
Complexity: 279  
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: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
154106-05-5    80590-50-7 

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

80590-50-7    74-88-4   
3-(2-chlorophenyl)-4-methyl-5-methylthio-4H-1,2,4-triazole 

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

5814-05-1    80590-50-7 

[1]Kane;Staeger;Dalton;Miller;Dudley;Ogden;Kehne;Ketteler;McCloskey;Senyah;Chmielewski;Miller[JournalofMedicinalChemistry,1994,vol.37,#1,p.125-132]

556-61-6    5814-05-1    80590-50-7 

[1]Duan,Wen-Gui;Huang,Mei;Li,Bao-Yu;Lin,Gui-Shan[Molecules,2021,vol.26,#22]

(-)-menthylchloroacetate 
  80590-50-7   
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl-2-((5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate 

[1]Duan,Wen-Gui;Huang,Mei;Li,Bao-Yu;Lin,Gui-Shan[Molecules,2021,vol.26,#22]

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