C21H15N3O4S
[2-[(Z)-(6-benzyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate
Also Known As: 2-[(Z)-(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate|(Z)-2-((6-benzyl-3,7-dioxo-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)phenyl acetate|2-{[3,7-dioxo-6-benzyl-1,3-thiazolidino[3,2-b]1,2,4-triazin-2-ylidene]methyl}p henyl acetate
CAS: 463959-75-3
| Molecular Formula | C21H15N3O4S |
|---|---|
| Molecular Weight | 405.07834 g/mol |
| LogP | 1.575 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.07834 |
| Monoisotopic Mass | 405.07834 |
| Heavy Atoms | 29 |
| Complexity | 1376.8163 |
Chemical Identifiers
| CAS Number | 463959-75-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1/C=C\2/C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2 |
Product Overview
C21H15N3O4S (CAS 463959-75-3), with molecular formula C21H15N3O4S and molecular weight 405.07834 g/mol. IUPAC: [2-[(Z)-(6-benzyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate.
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.
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