4-Methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-4H-1,2,4-triazole-3-thiol CAS 956576-83-3
| CAS No. | 956576-83-3 |
| Molecular Formula | C12H15N3S2 |
| Molecular Weight | 265.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 956576-83-3), molecular formula C12H15N3S2 and molecular weight 265.40 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H15N3S2, 4-Methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-4H-1,2,4-triazole-3-thiol contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 265.40 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H15N3S2 |
| Molecular Weight | 265.40 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 4-Allyl-5-(5-propylthien-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 522598-13-6)
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