| CAS No. | 229970-90-5 |
| Molecular Formula | C12H17N3S |
| Molecular Weight | 235.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-(4-Methylpiperazin-1-yl)benzothioamide (CAS 229970-90-5) is a high-purity analytical reference standard with the molecular formula C12H17N3S and a molecular weight of 235.35 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 4-(4-Methylpiperazin-1-yl)benzothioamide is typically off-white to pale yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 235.35 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
| Molecular Formula | C12H17N3S |
| Molecular Weight | 235.35 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2022 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |