1-{[3-(Diethylamino)propyl]amino}-2-hydroxy-4-methyl-9H-thioxanthen-9-one
Basic information
- CAS
80568-59-8- Standard SMILES
CCN(CC)CCCNc1c(O)cc(C)c2sc3ccccc3c(=O)c12- InChIKey
BGAYNLPAMSKBPL-UHFFFAOYSA-N- Molecular formula
- C21H26N2O2S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.17149925
Names & identifiers
- Preferred name
- 1-{[3-(Diethylamino)propyl]amino}-2-hydroxy-4-methyl-9H-thioxanthen-9-one
- IUPAC
- 1-[3-(diethylamino)propylamino]-2-hydroxy-4-methylthioxanthen-9-one
Names & synonyms
NSC30666680568-59-81-{[3-(Diethylamino)propyl]amino}-2-hydroxy-4-methyl-9H-thioxanthen-9-oneCHEMBL73291DTXSID10316765NSC-3066661-[3-(diethylamino)propylamino]-2-hydroxy-4-methyl-thioxanthen-9-one
Database identifiers
- CAS
80568-59-8- PubChem CID
- 328329
- DTXSID
DTXSID10316765- ChEMBL
CHEMBL73291
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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