AC1NRML0
2-(4-hexoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one|2-(4-hexoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CAS: 7066-99-1
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.13617 g/mol |
| LogP | 4.233 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.13617 |
| Monoisotopic Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1344.8341 |
Chemical Identifiers
| CAS Number | 7066-99-1 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])SC3=N2 |
Product Overview
AC1NRML0 (CAS 7066-99-1), with molecular formula C23H22N4O4S and molecular weight 450.13617 g/mol. IUPAC: 2-(4-hexoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
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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