(5E)-2-Mercapto-5-[2-(trifluoromethyl)benzylidene]-1,3-thiazol-4(5H)-one 153568-04-8 4780AD C11H6F3NOS2 CAS 153568-04-8
| CAS No. | 153568-04-8 |
| Molecular Formula | C11H6F3NOS2 |
| Molecular Weight | 289.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 289.30 g/mol gives (5E)-2-Mercapto-5-[2-(trifluoromethyl)benzylidene]-1,3-thiazol-4(5H)-one 153568-04-8 4780AD C11H6F3NOS2 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (5E)-2-Mercapto-5-[2-(trifluoromethyl)benzylidene]-1,3-thiazol-4(5H)-one 153568-04-8 4780AD C11H6F3NOS2 (CAS 153568-04-8), a certified reference material (molecular formula C11H6F3NOS2, MW 289.30 g/mol) for analytical method development and quality control.
Structurally, (5E)-2-Mercapto-5-[2-(trifluoromethyl)benzylidene]-1,3-thiazol-4(5H)-one 153568-04-8 4780AD C11H6F3NOS2 (C11H6F3NOS2) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 289.30 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C11H6F3NOS2 |
| Molecular Weight | 289.30 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related E Standards
- (5E)-2-Mercapto-5-[4-(trifluoromethyl)-benzylidene]-1,3-thiazol-4(5H)-one 4696AF 99460-76-1 C11H6F3NOS2 (CAS 99460-76-1)
- 2-Mercapto-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 59898-64-5)
- 4-(5-mercapto-1H-tetrazol-1-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 875160-19-3)
- 6-Mercapto-1-(2-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 1416345-88-4)
- 1-mercapto-4-(3-methoxypropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 757221-15-1)
- Ethyl 4-(2-mercapto-4,4-dimethylpyrimidin-1(4H)-yl)benzoate (CAS 1142212-61-0)
- N-(1-(5-Mercapto-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl)benzamide (CAS 708251-23-4)
- N-(3-Mercapto-5-pentyl-4H-1,2,4-triazol-4-yl)benzamide (CAS 32444-84-1)
Recommended Standards
- Thiazol-2-yl(4-((trifluoromethyl)thio)phenyl)methanone (CAS 1443304-96-8)
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- 4-(2-(3,4-Difluorophenyl)thiazol-4-yl)phenol (CAS 1421263-04-8)
- Methyl 2-Amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate (CAS 160009-37-0)
- 2-Methyl-6-(trifluoromethyl)isonicotinaldehyde (CAS 1288992-12-0)
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- ([D2]Gly4)-Cholecystokinin Octapeptide (sulfated) ammonium salt (CAS 1926163-74-7)
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