Hycanthone sulfoxide
Basic information
- CAS
37599-14-7- Standard SMILES
CCN(CC)CCNc1ccc(O)c2c1C(=O)c1ccccc1S2=O- InChIKey
BOILIEWUSDEGAC-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3S
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.13511374
Names & identifiers
- Preferred name
- Hycanthone sulfoxide
- IUPAC
- 1-[2-(diethylamino)ethylamino]-4-hydroxy-10-oxothioxanthen-9-one
- English name
- 1-[[2-(Diethylamino)ethyl]amino]-4-hydroxy-9H-thioxanthen-9-one 10-oxide
- Molecular formula
- C19H22N2O3S
- Molecular weight
- 358.45
Names & synonyms
Hycanthone sulfoxide37599-14-72LIB06MZW39H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-hydroxy-, 10-oxide1-((2-(Diethylamino)ethyl)amino)-4-hydroxy-9H-thioxanthen-9-one 10-oxide1-[[2-(Diethylamino)ethyl]amino]-4-hydroxy-9H-thioxanthen-9-one 10-oxideUNII-2LIB06MZW3HYCANTHONE SULPHOXIDEDTXSID10958649Q272548911-{[2-(Diethylamino)ethyl]amino}-4-hydroxy-10lambda~4~-thioxanthene-9,10-dione9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-hydroxy-, 10-oxide
Database identifiers
- CAS
37599-14-7- PubChem CID
- 5488038
- DTXSID
DTXSID10958649- UNII
- 2LIB06MZW3
- Nikkaji
- J59.679E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- FDA UNII
- 2 LIB06MZW3 · 2LIB06MZW3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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