5-(4-Chlorophenyl)-2-((4-methoxyphenyl)thio)nicotinonitrile CAS 338954-94-2
| CAS No. | 338954-94-2 |
| Molecular Formula | C19H13ClN2OS |
| Molecular Weight | 352.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-(4-Chlorophenyl)-2-((4-methoxyphenyl)thio)nicotinonitrile (CAS 338954-94-2) is a high-purity analytical reference standard with the molecular formula C19H13ClN2OS and a molecular weight of 352.84 g/mol.
Structurally, 5-(4-Chlorophenyl)-2-((4-methoxyphenyl)thio)nicotinonitrile (C19H13ClN2OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 352.84 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C19H13ClN2OS |
| Molecular Weight | 352.84 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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