F0806-0123
ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate
Also Known As: Oprea1_484145|Biguanide, 1-phenyl-, picrate|F0806-0123|ethyl 2-[4-(dimethylsulfamoyl)benzamido]-5-nitrothiophene-3-carboxylate|AB00685212-01|SR-01000445419-1|ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate|ethyl 2-(4-(N,N-dimethylsulfamoyl)benzamido)-5-nitrothiophene-3-carboxylate|Ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-nitro-thiophene-3-carboxylate|Imidocarbonimidic diamide, N-phenyl-, compd. with 2,4,6-trinitrophenol (1:1)
| Molecular Formula | C16H17N3O7S2 |
|---|---|
| Molecular Weight | 427.05078 g/mol |
| LogP | 2.3356 |
| Topological Polar Surface Area | 135.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.05078 |
| Monoisotopic Mass | 427.05078 |
| Heavy Atoms | 28 |
| Complexity | 1011.3589 |
Chemical Identifiers
| CAS Number | 477490-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C |
Product Overview
F0806-0123 (CAS 477490-98-5), with molecular formula C16H17N3O7S2 and molecular weight 427.05078 g/mol. IUPAC: ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate.
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