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Home Amines 861209-21-4
861209-21-4,MFCD03305551
Catalog No.:AA00IS9W

861209-21-4 | methyl 3-amino-8-phenyl-5-thia-7-azatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>90%
1 week  
$299.00   $209.00
- +
5mg
>90%
1 week  
$319.00   $223.00
- +
10mg
>90%
1 week  
$358.00   $250.00
- +
500mg
>90%
1 week  
$1,087.00   $761.00
- +
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Technical Information
Catalog Number:
AA00IS9W
Chemical Name:
methyl 3-amino-8-phenyl-5-thia-7-azatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate
CAS Number:
861209-21-4
Molecular Formula:
C18H16N2O2S
Molecular Weight:
324.3968
MDL Number:
MFCD03305551
SMILES:
COC(=O)c1sc2c(c1N)c1CCCc1c(n2)c1ccccc1
Properties
Computed Properties
 
Complexity:
454  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.8  

Literature
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Additional Info:
SDS
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Tags:861209-21-4 Molecular Formula|861209-21-4 MDL|861209-21-4 SMILES|861209-21-4 methyl 3-amino-8-phenyl-5-thia-7-azatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate