3-(Methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile CAS 338751-25-0
| CAS No. | 338751-25-0 |
| Molecular Formula | C14H10F3N3S2 |
| Molecular Weight | 341.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(Methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile (CAS 338751-25-0), molecular formula C14H10F3N3S2 and molecular weight 341.37 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(Methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile (C14H10F3N3S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 3-(Methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile 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 | C14H10F3N3S2 |
| Molecular Weight | 341.37 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; 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 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Methylsulfanyl Standards
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- 2-(Methylsulfanyl)-4,6-bis(phenylsulfanyl)pyrimidine (CAS 478258-53-6)
- 4-(Methylsulfanyl)-2-(naphthalene-2-sulfonamido)butanoic acid (CAS 1396965-15-3)
- 6-{[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methoxy}-2-phenyl-2,3-dihydropyridazin-3-one (CAS 692737-10-3)
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Recommended Standards
- 1-Benzyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbonitrile (CAS 302936-84-1)
- 4-Fluoro-N-{4-[(4-fluorophenyl)sulfanyl]phenyl}benzamide (CAS 339096-35-4)
- 1-[4-(Cyclopropyl{[6-(trifluoromethyl)-3-pyridinyl]methyl}amino)-1-piperidinyl]ethanone (CAS 909666-25-7)
- 5-(3-(1H-Benzo[d]imidazol-2-yl)-1H-indazol-5-yl)-4-methylpyridin-3-ol (CAS 351456-28-5)
- (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide (CAS 38221-21-5)
- 5-Isobutyl-1-phenyl-1H-pyrazole-3-carbaldehyde (CAS 926893-91-6)
- 4-Fluoro-D-phenylalanine (CAS 18125-46-7)
- (5-Chloro-6-(2-methyl-1H-imidazol-1-yl)pyridin-3-yl)boronic acid (CAS 2225178-83-4)
- 6-Bromo-1-chloro-2-naphthol (CAS 102169-88-0)
- Methyl 2-(3-benzoylthioureido)benzoate (CAS 77711-35-4)
- 1-(4-Benzyl-piperazin-1-yl)-2-chloro-ethanonehydrochloride (CAS 76087-89-3)
- 4-Fluoro-N-(3-fluorophenethyl)aniline (CAS 885270-42-8)
- N-((1-Benzylpiperidin-2-yl)methyl)-2-chloro-N-cyclopropylacetamide (CAS 1353984-45-8)
- Tirzepatide Impurity 38 (CAS CATO-C4X-324038)
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