(2E)-4-Methyl-3-oxo-2-[(thiophen-2-yl)methylidene]-4-(1H-1,2,4-triazol-1-yl)pentanenitrile CAS 338759-04-9
| CAS No. | 338759-04-9 |
| Molecular Formula | C13H12N4OS |
| Molecular Weight | 272.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 272.33 g/mol gives (2E)-4-Methyl-3-oxo-2-[(thiophen-2-yl)methylidene]-4-(1H-1,2,4-triazol-1-yl)pentanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2E)-4-Methyl-3-oxo-2-[(thiophen-2-yl)methylidene]-4-(1H-1,2,4-triazol-1-yl)pentanenitrile (CAS 338759-04-9), molecular formula C13H12N4OS and molecular weight 272.33 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (2E)-4-Methyl-3-oxo-2-[(thiophen-2-yl)methylidene]-4-(1H-1,2,4-triazol-1-yl)pentanenitrile (C13H12N4OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), (2E)-4-Methyl-3-oxo-2-[(thiophen-2-yl)methylidene]-4-(1H-1,2,4-triazol-1-yl)pentanenitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H12N4OS |
| Molecular Weight | 272.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- (2-(Methylthio)-9H-purin-8-yl)(phenyl)methanol (CAS 4244-51-3)
- (E)-N,N-Dimethyl-N'-[7-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanimidamide (CAS 303145-94-0)
- 2-Hydrazinyl-7-(p-tolyl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 1779132-43-2)
- (R)-5-((1H-Imidazol-5-yl)methyl)-3-phenyl-2-thioxoimidazolidin-4-one (CAS 260804-70-4)
- Boc-3-(Methylseleno)-Ala-OH (CAS 423171-87-3)
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