2-(Trifluoromethyl)thioxanthen-9-one - CAS 1693-28-3
Catalog: |
BB012539 |
Product Name: |
2-(Trifluoromethyl)thioxanthen-9-one |
CAS: |
1693-28-3 |
Synonyms: |
2-(Trifluoromethyl)thioxanthen-9-one is a decomposition product of Flupentixol, which is a dopamine receptor antagonist used as an antipsychotic in the treatment of schizophrenia. |
IUPAC Name: | 2-(Trifluoromethyl)-9-thioxanthenone; 2-Trifluoromethyl thioxanthone; 2-(Trifluoromethyl)-9H-thioxanthen-9-one; Thioxanthen-9-one, 2-(trifluoromethyl)-; 2-Trifluoromethyl-9-thioxanthone; 2-Trifluoromethylthioxanthone |
Description: | 1.433±0.06 g/cm3 |
Molecular Weight: | 280.26 |
Molecular Formula: | C14H7F3OS |
Canonical SMILES: | Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated) |
InChI: | InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H |
InChI Key: | NEWRXGDGZGIHIS-UHFFFAOYSA-N |
Boiling Point: | 375.1 °C at 760 mmHg |
Melting Point: | 375.1±42.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 147-148°C |
Solubility: | Store at 2-8°C |
Appearance: | Pale Yellow Crystal |
LogP: | 4.43350 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111138411-A | Ultraviolet light promoted synthesis method of thioxanthone compound | 20191217 |
CN-111138411-B | Ultraviolet light promoted synthesis method of thioxanthone compound | 20191217 |
WO-2021058320-A1 | Composition for preparing a color filter | 20190927 |
JP-2021019177-A | Thermoelectric conversion material and thermoelectric conversion element | 20190719 |
WO-2021010154-A1 | Antibacterial polymer particles, composition and article | 20190712 |
Complexity: | 368 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.01697050 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.01697050 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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