1-(Diphenylphosphoryl)-N-(2-(methylthio)-5-(trifluoromethyl)phenyl)methanethioamide CAS 680213-02-9
| CAS No. | 680213-02-9 |
| Molecular Formula | C21H17F3NOPS2 |
| Molecular Weight | 451.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 451.46 g/mol gives 1-(Diphenylphosphoryl)-N-(2-(methylthio)-5-(trifluoromethyl)phenyl)methanethioamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-(Diphenylphosphoryl)-N-(2-(methylthio)-5-(trifluoromethyl)phenyl)methanethioamide (CAS 680213-02-9) is a high-purity analytical reference standard with the molecular formula C21H17F3NOPS2 and a molecular weight of 451.46 g/mol.
1-(Diphenylphosphoryl)-N-(2-(methylthio)-5-(trifluoromethyl)phenyl)methanethioamide (C21H17F3NOPS2) contains a steroid core, an amide group, sulfur-containing functionality, organophosphorus functionality, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C21H17F3NOPS2 |
| Molecular Weight | 451.46 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Diphenylphosphoryl Standards
- N1-[(Diphenylphosphoryl)(thien-2-yl)methyl]-3-(trifluoromethyl)aniline (CAS 260437-23-8)
- N-(4-(Diphenylphosphoryl)phenyl)benzenesulfonamide (CAS 65089-13-6)
- 2-((Diphenylphosphoryl)methoxy)ethyl 4-methylbenzenesulfonate (CAS 95651-32-4)
- N-(4-(Diphenylphosphoryl)phenyl)-4-methoxybenzamide (CAS 90304-96-4)
- n-(Diphenylphosphoryl)-p,p-diphenylphosphinimidic acid (CAS 31239-06-2)
- 2-(Diphenylphosphoryl)-N,N-diphenylacetamide (CAS 90185-35-6)
- N-(4-(Diphenylphosphoryl)phenyl)-4-methylbenzamide (CAS 90304-95-3)
- 1-(Diphenylphosphoryl)-N-(3-(trifluoromethyl)phenyl)methanethioamide (CAS 260410-83-1)
Recommended Standards
- (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(4-(difluoromethyl)phenyl)propanoic acid (CAS 2255321-52-7)
- 2-((3-Isobutyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide (CAS 882083-32-1)
- Ezetimibe Impurity S (CAS 190448-46-5)
- 2-Hydroxy-4-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid (CAS 314759-58-5)
- (E)-3-(2-Propoxyphenyl)acrylic acid (CAS 60491-05-6)
- 3-(Pyrimidin-2-yl)-7,12-dioxa-3-azaspiro[5.6]Dodec-9-ene (CAS 339099-33-1)
- 1-fluoro-2-methoxy-4-nitro-5-(trifluoromethyl)benzene (CAS 863983-95-3)
- (R)-N-(1,5-Dihydroxypentan-2-yl)benzamide (CAS 1245648-10-5)
- (S)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-(methylamino)propanoate (CAS 138093-73-9)
- 7-Bromo-N-isopropyl-1,2,3,4-tetrahydronaphthalen-1-amine (CAS 1303968-06-0)
- 2-(5-Methylthiophen-2-yl)cyclopropane-1-carboxylic acid (CAS 455267-60-4)
- 4-Fluoro-2,6-dimethylaniline (CAS 392-70-1)
- 2,3-dihydro-1H-indene-2-carbaldehyde (CAS 37414-44-1)
- Glucagon (19-29) (human, rat, porcine) (CAS 64790-15-4)
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