Potassium 4-(3-chloro-4-methylphenyl)-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate CAS 1011405-05-2
| CAS No. | 1011405-05-2 |
| Molecular Formula | C9H6ClN2S3 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Potassium 4-(3-chloro-4-methylphenyl)-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate (CAS 1011405-05-2) is a high-purity analytical reference standard with the molecular formula C9H6ClN2S3K and a molecular weight of 312.89 g/mol.
Based on its molecular formula C9H6ClN2S3K, Potassium 4-(3-chloro-4-methylphenyl)-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate contains a salt form, a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 312.89 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C9H6ClN2S3 K |
| Molecular Weight | 312.89 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
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- Semaglutide impurity 77 (CAS CATO-C4X-222677)
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