3,4-Dimethyl-1H-1,2,4-triazole-5(4H)-thione CAS 38942-50-6
| CAS No. | 38942-50-6 |
| Molecular Formula | C4H7N3S |
| Molecular Weight | 129.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3,4-Dimethyl-1H-1,2,4-triazole-5(4H)-thione is closely related to a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3,4-Dimethyl-1H-1,2,4-triazole-5(4H)-thione (CAS 38942-50-6) is a high-purity analytical reference standard with the molecular formula C4H7N3S and a molecular weight of 129.18 g/mol.
Based on its molecular formula C4H7N3S, 3,4-Dimethyl-1H-1,2,4-triazole-5(4H)-thione contains a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 129.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C4H7N3S |
| Molecular Weight | 129.18 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1968 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Dimethyl Standards
- 1,2-Dimethyl-1H-1,2,3-triazole-5(2H)-thione (CAS 64808-28-2)
- 1,4-Dimethyl-1H-1,2,4-triazole-5(4H)-thione (CAS 21885-29-0)
- 4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-one (CAS 25444-99-9)
- N,3-Dimethyl-1,2,4-thiadiazol-5-amine (CAS 35550-13-1)
- N,5-Dimethyl-1,3,4-thiadiazol-2-amine (CAS 38917-35-0)
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