AC1O390A
2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-[3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS: 853572-69-7
| Molecular Formula | C19H15ClN4O4S |
|---|---|
| Molecular Weight | 430.05026 g/mol |
| LogP | 3.83308 |
| Topological Polar Surface Area | 139.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.05026 |
| Monoisotopic Mass | 430.05026 |
| Heavy Atoms | 29 |
| Complexity | 1100.3593 |
Chemical Identifiers
| CAS Number | 853572-69-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/C#N)C(=O)N |
Product Overview
AC1O390A (CAS 853572-69-7), with molecular formula C19H15ClN4O4S and molecular weight 430.05026 g/mol. IUPAC: 2-[[(E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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