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1147096-51-2,MFCD25955873
Catalog No.:AA01AFDG

1147096-51-2 | methyl 4-[imino(methyl)oxo-lambda6-sulfanyl]benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$386.00   $270.00
- +
250mg
95%
in stock  
$540.00   $378.00
- +
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Technical Information
Catalog Number:
AA01AFDG
Chemical Name:
methyl 4-[imino(methyl)oxo-lambda6-sulfanyl]benzoate
CAS Number:
1147096-51-2
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD25955873
SMILES:
COC(=O)c1ccc(cc1)S(=O)(=N)C
Properties
Computed Properties
 
Complexity:
312  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.6  

Literature
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Additional Info:
SDS
Tags:1147096-51-2 Molecular Formula|1147096-51-2 MDL|1147096-51-2 SMILES|1147096-51-2 methyl 4-[imino(methyl)oxo-lambda6-sulfanyl]benzoate