2-(4-Thiocyanatophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5H)-one CAS 76995-62-5
| CAS No. | 76995-62-5 |
| Molecular Formula | C14H13N3OS2 |
| Molecular Weight | 303.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C14H13N3OS2, 2-(4-Thiocyanatophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 303.40 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-(4-Thiocyanatophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5H)-one (CAS 76995-62-5), molecular formula C14H13N3OS2 and molecular weight 303.40 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C14H13N3OS2 |
| Molecular Weight | 303.40 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.) | 1978 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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