Becanthone
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one
| Molecular Formula | C22H28N2O2S |
|---|---|
| Molecular Weight | 384.5 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.9 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.18716 |
| Heavy Atoms | 27 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 15351-04-9 |
|---|---|
| SMILES | CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)(C)O |
| InChIKey | ATQREMXMJIWUIN-UHFFFAOYSA-N |
📖 Product Overview
Becanthone (CAS: 15351-04-9) is a chemical compound with molecular formula C22H28N2O2S and molecular weight 384.5 g/mol. Its IUPAC systematic name is 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one.
ATQREMXMJIWUIN-UHFFFAOYSA-N.
SMILES: CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)(C)O.
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