Lucanthone N-oxide monomethanesulfonate
N,N-diethyl-2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethanamine oxide;methanesulfonic acid
Also Known As: Lucanthone N-oxide monomethanesulfonate|N,N-diethyl-2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethanamine oxide;methanesulfonic acid|9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-, N-oxide, monomethanesulfonate|1-{[2-(diethylnitroryl)ethyl]amino}-4-methyl-9H-thioxanthen-9-one methanesulfonate (1:1)|N,N-diethyl-2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethanamine oxide; methanesulfonic acid|9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methyl-, N-oxide, monomethanesulfonate|N,N-Diethyl-2-[(4-methyl-9-oxo-9H-thioxanthen-1-yl)amino]ethan-1-amine N-oxide--methanesulfonic acid (1/1)
| Molecular Formula | C21H28N2O5S2 |
|---|---|
| Molecular Weight | 452.14395 g/mol |
| LogP | 3.99342 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.14395 |
| Monoisotopic Mass | 452.14395 |
| Heavy Atoms | 30 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 64345-84-2 |
|---|---|
| SMILES | CC[N+](CC)(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)[O-].CS(=O)(=O)O |
| InChIKey | XYAVPKDGOAVKLY-UHFFFAOYSA-N |
Product Overview
Lucanthone N-oxide monomethanesulfonate (CAS 64345-84-2), with molecular formula C21H28N2O5S2 and molecular weight 452.14395 g/mol. IUPAC: N,N-diethyl-2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethanamine oxide;methanesulfonic acid.