Thioxanthen-9-one, acetate (ester)
[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl acetate
Also Known As: Thioxanthen-9-one, acetate (ester)|[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl|[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl acetate|(1-{[2-(Diethylamino)ethyl]amino}-9-oxo-9H-thioxanthen-4-yl)methyl acetate|9H-Thioxanthen-9-one, 4-[(acetyloxy)methyl]-1-[[2- (diethylamino)ethyl]amino]-
CAS: 3612-72-4
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.1664 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.1664 |
| Monoisotopic Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 3612-72-4 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)C)SC3=CC=CC=C3C2=O |
| InChIKey | YBQVWCLNKFVHCN-UHFFFAOYSA-N |
Product Overview
Thioxanthen-9-one, acetate (ester) (CAS 3612-72-4), with molecular formula C22H26N2O3S and molecular weight 398.1664 g/mol. IUPAC: [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl 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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