9H-Thioxanthen-9-one, 1-[2-(dimethylamino)ethylamino]-7-hydroxy-
Basic information
- CAS
86456-31-7- Standard SMILES
CN(C)CCNc1cccc2sc3ccc(O)cc3c(=O)c12- InChIKey
LIXQKVJTQBUEPZ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.10889899
Names & identifiers
- Preferred name
- 9H-Thioxanthen-9-one, 1-[2-(dimethylamino)ethylamino]-7-hydroxy-
- IUPAC
- 1-[2-(dimethylamino)ethylamino]-7-hydroxythioxanthen-9-one
Names & synonyms
MLS003171337NSC3753899H-Thioxanthen-9-one, 1-[2-(dimethylamino)ethylamino]-7-hydroxy-86456-31-7SMR0018752381-{[2-(Dimethylamino)ethyl]amino}-7-hydroxy-9H-thioxanthen-9-onecid_341818CHEMBL1866557BDBM94866DTXSID80321442LIXQKVJTQBUEPZ-UHFFFAOYSA-NNSC-375389
Show more names
1-(2-dimethylaminoethylamino)-7-hydroxythioxanthenone1-(2-dimethylaminoethylamino)-7-hydroxy-thioxanthen-9-one1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-thioxanthenone1-[2-(dimethylamino)ethylamino]-7-hydroxythioxanthen-9-one1-[2-(dimethylamino)ethylamino]-7-hydroxy-thioxanthen-9-one1-[2-(dimethylamino)ethylamino]-7-oxidanyl-thioxanthen-9-one9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-
Database identifiers
- CAS
86456-31-7- PubChem CID
- 341818
- DTXSID
DTXSID80321442- ChEMBL
CHEMBL1866557
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
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Related reactions
1 records
Compound notes
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