3-Methyl-4-phenylthiophene-2,5-dicarbonitrile CAS 339111-50-1
| CAS No. | 339111-50-1 |
| Molecular Formula | C13H8N2S |
| Molecular Weight | 224.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-Methyl-4-phenylthiophene-2,5-dicarbonitrile (C13H8N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 224.28 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 3-Methyl-4-phenylthiophene-2,5-dicarbonitrile (CAS 339111-50-1), a certified reference material (molecular formula C13H8N2S, MW 224.28 g/mol) for analytical method development and quality control.
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 | C13H8N2S |
| Molecular Weight | 224.28 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 4-Phenylthiophene-2-carbonyl chloride (CAS 683274-48-8)
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- 5-Methyl-4-phenylthiophene-2-carboxylic acid (CAS 62404-08-4)
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