AC1OB8AC
4,5-dimethyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-3-carboxamide
Also Known As: AK-968/41025362|4,5-dimethyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-3-carboxamide|N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-4,5-dimethyl-3-thiophenecarbohydrazide|4,5-dimethyl-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]thiophene-3-carbohydrazide|N-[(1E)-2-(6-nitro(2H-benzo[d]1,3-dioxolen-5-yl))-1-azavinyl](4,5-dimethyl(3-t hienyl))carboxamide
| Molecular Formula | C15H13N3O5S |
|---|---|
| Molecular Weight | 347.0576 g/mol |
| LogP | 2.76574 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0576 |
| Monoisotopic Mass | 347.0576 |
| Heavy Atoms | 24 |
| Complexity | 859.03467 |
Chemical Identifiers
| CAS Number | 492437-91-9 |
|---|---|
| SMILES | CC1=C(SC=C1C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C |
Product Overview
AC1OB8AC (CAS 492437-91-9), with molecular formula C15H13N3O5S and molecular weight 347.0576 g/mol. IUPAC: 4,5-dimethyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-3-carboxamide.
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