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Home Carboxes 588674-42-4
588674-42-4,MFCD03943564
Catalog No.:AA00EA1Q

588674-42-4 | 5-[1-(4-Chloro-3,5-dimethylphenoxy)ethyl]-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
- +
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Technical Information
Catalog Number:
AA00EA1Q
Chemical Name:
5-[1-(4-Chloro-3,5-dimethylphenoxy)ethyl]-4-methyl-4h-1,2,4-triazole-3-thiol
CAS Number:
588674-42-4
Molecular Formula:
C13H16ClN3OS
Molecular Weight:
297.8036
MDL Number:
MFCD03943564
SMILES:
CC(c1nnc(n1C)S)Oc1cc(C)c(c(c1)C)Cl
Properties
Computed Properties
 
Complexity:
378  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.4  

Literature
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Additional Info:
SDS
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Tags:588674-42-4 Molecular Formula|588674-42-4 MDL|588674-42-4 SMILES|588674-42-4 5-[1-(4-Chloro-3,5-dimethylphenoxy)ethyl]-4-methyl-4h-1,2,4-triazole-3-thiol