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866040-02-0,MFCD03848593
Catalog No.:AA00IUEC

866040-02-0 | N-(2-cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide

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Technical Information
Catalog Number:
AA00IUEC
Chemical Name:
N-(2-cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CAS Number:
866040-02-0
Molecular Formula:
C14H17N3O2S
Molecular Weight:
291.3687
MDL Number:
MFCD03848593
SMILES:
COc1cc(NC(=S)N2CCCC2)c(cc1OC)C#N
Properties
Computed Properties
 
Complexity:
389  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Literature
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Additional Info:
SDS
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Tags:866040-02-0 Molecular Formula|866040-02-0 MDL|866040-02-0 SMILES|866040-02-0 N-(2-cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide