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3111-89-5,MFCD00022143
Catalog No.:AA00BWDV

3111-89-5 | Phenylthiocarbamic acid ethyl ester

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Technical Information
Catalog Number:
AA00BWDV
Chemical Name:
Phenylthiocarbamic acid ethyl ester
CAS Number:
3111-89-5
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD00022143
SMILES:
CCOC(=S)Nc1ccccc1
Properties
Computed Properties
 
Complexity:
144  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.9  

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SDS
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