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866010-90-4,MFCD05670446
Catalog No.:AA00IVBY

866010-90-4 | ethyl 2-{[3-(3-methylbenzenesulfonamido)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate

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Technical Information
Catalog Number:
AA00IVBY
Chemical Name:
ethyl 2-{[3-(3-methylbenzenesulfonamido)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
CAS Number:
866010-90-4
Molecular Formula:
C13H16N4O4S2
Molecular Weight:
356.4205
MDL Number:
MFCD05670446
SMILES:
CCOC(=O)CSc1[nH]nc(n1)NS(=O)(=O)c1cccc(c1)C
Properties
Computed Properties
 
Complexity:
497  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
8  
XLogP3:
2.3  

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SDS
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Tags:866010-90-4 Molecular Formula|866010-90-4 MDL|866010-90-4 SMILES|866010-90-4 ethyl 2-{[3-(3-methylbenzenesulfonamido)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate