Basic information
- CAS
32484-50-7- Standard SMILES
CCN(CC)CCNc1cccc2sc3ccccc3c(=O)c12- InChIKey
LJDRCIHLYQOFIR-UHFFFAOYSA-N- Molecular formula
- C19H22N2OS
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.1452845
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-((2-(Diethylamino)ethyl)amino)-9H-thioxanthen-9-one
- IUPAC
- 1-[2-(diethylamino)ethylamino]thioxanthen-9-one
- English name
- 1-[[2-(diethylamino)ethyl]amino]-9H-thioxanthen-9-one
- Molecular formula
- C19H22N2OS
- Molecular weight
- 326.46
Names & synonyms
4-Desmethyllucanthone32484-50-71-((2-(Diethylamino)ethyl)amino)-9H-thioxanthen-9-oneU5C16CI3HW1-[[2-(DIETHYLAMINO)ETHYL]AMINO]-9H-THIOXANTHEN-9-ONENSC-166378DTXSID201862141-{[2-(DIETHYLAMINO)ETHYL]AMINO}-9H-THIOXANTHEN-9-ONE9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-, (S)-4-demethyllucanthoneRefChem:98741DTXCID30108705
Show more names
9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-
251-065-91-[2-(diethylamino)ethylamino]thioxanthen-9-oneMLS0031065961-(2-diethylaminoethylamino)thioxanthen-9-oneNSC166378SMR001821489EINECS 251-065-9NSC 166378
Database identifiers
- CAS
32484-50-7- PubChem CID
- 72735
- DTXSID
DTXSID20186214- ChEMBL
CHEMBL1889494- UNII
- U5C16CI3HW
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 505.5 · 505.5±50.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 9.98 · 9.98±0.25(Predicted)
- FDA UNII
- 5 C16CI3HW · U5C16CI3HW
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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