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21055-41-4,MFCD09025710
Catalog No.:AA00C153

21055-41-4 | Methyl l-2-isothiocyanato-3-methylbutyrate

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1g
98%
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$85.00   $59.00
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Technical Information
Catalog Number:
AA00C153
Chemical Name:
Methyl l-2-isothiocyanato-3-methylbutyrate
CAS Number:
21055-41-4
Molecular Formula:
C7H11NO2S
Molecular Weight:
173.2327
MDL Number:
MFCD09025710
SMILES:
COC(=O)C(C(C)C)N=C=S
Properties
Computed Properties
 
Complexity:
185  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.1  

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SDS
Tags:21055-41-4 Molecular Formula|21055-41-4 MDL|21055-41-4 SMILES|21055-41-4 Methyl l-2-isothiocyanato-3-methylbutyrate