Basic information
- CAS
80568-19-0- Standard SMILES
CCN(CC)CCNc1c(O)cc(C)c2sc3ccccc3c(=O)c12- InChIKey
KAEPIGKWCOVABV-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2S
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.15584919
Names & identifiers
- Preferred name
- 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-2-hydroxy-4-methyl-
- IUPAC
- 1-[2-(diethylamino)ethylamino]-2-hydroxy-4-methylthioxanthen-9-one
Names & synonyms
80568-19-0JX9UAS3F699H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-2-hydroxy-4-methyl-NSC302335UNII-JX9UAS3F69NSC 3023351-(2-diethylaminoethylamino)-2-hydroxy-4-methyl-thioxanthen-9-oneNSC-3023359H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-2-hydroxy-4-methyl-CHEMBL306509DTXSID60230402DS-006205
Show more names
1-{[2-(DIETHYLAMINO)ETHYL]AMINO}-2-HYDROXY-4-METHYL-9H-THIOXANTHEN-9-ONE
Database identifiers
- CAS
80568-19-0- PubChem CID
- 327409
- DTXSID
DTXSID60230402- ChEMBL
CHEMBL306509- UNII
- JX9UAS3F69
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…