9H-Thioxanthen-9-one, 1-((2-(dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-
Basic information
- CAS
86455-91-6- Standard SMILES
CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12- InChIKey
YDQFGJFCLNZQJY-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11946368
Names & identifiers
- Preferred name
- 9H-Thioxanthen-9-one, 1-((2-(dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-
- IUPAC
- 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one
Names & synonyms
NSC33435286455-91-6MLS0027028819H-Thioxanthen-9-one, 1-((2-(dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-NSC 3343529H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-NSC-334352SMR0015666991-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one1-[[2-(Dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-9H-thioxanthen-9-one1-{[2-(DIMETHYLAMINO)ETHYL]AMINO}-7-HYDROXY-4-(HYDROXYMETHYL)-9H-THIOXANTHEN-9-ONENeuro_000172
Show more names
CHEMBL21677cid_333459FT9763S4HASCHEMBL10998783DTXSID50235562BDBM1146431-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-oneNCI60_002928
Database identifiers
- CAS
86455-91-6- PubChem CID
- 333459
- DTXSID
DTXSID50235562- ChEMBL
CHEMBL21677- UNII
- FT9763S4HA
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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