4-Methyl-[1,2,3]thiadiazole-5-carbonitrile CAS 175136-68-2
| CAS No. | 175136-68-2 |
| Molecular Formula | C4H3N3S |
| Molecular Weight | 125.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Methyl-[1,2,3]thiadiazole-5-carbonitrile is closely related to a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Methyl-[1,2,3]thiadiazole-5-carbonitrile (CAS 175136-68-2), molecular formula C4H3N3S and molecular weight 125.15 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C4H3N3S, 4-Methyl-[1,2,3]thiadiazole-5-carbonitrile contains a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 125.15 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 | C4H3N3S |
| Molecular Weight | 125.15 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) | 5.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2007 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 3-Methyl-1,2,4-thiadiazole-5-carbonitrile (CAS 1490714-51-6)
- 5-Methyl-1,3,4-thiadiazole-2-carbonitrile (CAS 518015-09-3)
- 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde (CAS 127108-66-1)
- 5-Methyl-1,2,3-thiadiazole-4-carbaldehyde (CAS 27643-16-9)
- 5-Methyl-1,3,4-thiadiazole-2-carbaldehyde (CAS 61018-49-3)
- 1,3,4-Thiadiazole-2-carboxamide (CAS 1330755-81-1)
- 1,2,5-thiadiazole-3-carboxylic acid (CAS 13368-86-0)
- 1,2,3-Thiadiazole-4-carboxylic acid (CAS 4100-13-4)
Recommended Standards
- 2-hydroxyethanesulfonamide (CAS 162894-76-0)
- 2-(1,2,5-thiadiazol-3-yl)acetonitrile (CAS 1936332-28-3)
- 1,3-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium (CAS 45656-71-1)
- 5-Aminoisothiazole-4-carbonitrile (CAS 1427502-13-3)
- 2-Cyclopropyl-6-(pyridin-2-yl)pyrimidin-4-ol (CAS 1159818-73-1)
- Clenhexerol (CAS 78982-88-4)
- Ethyl benzo[d]thiazol-2-ylglycinate (CAS 104344-73-2)
- 4,5,6,7-tetrahydro-1H-indazol-3-amine dihydrochloride (CAS 1951439-20-5)
- N-(1-Cyanopropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CAS 1803603-64-6)
- Dapagliflozin Impurity 169 (CAS CATO-C4X-1138169)
- Venlafaxine Impurity 63 (CAS 916918-90-6)
- Tert-butyl (4aS,6R,7aR)-6-aminooctahydro-2H-cyclopenta[c]pyridine-2-carboxylate (CAS 1932206-00-2)
- Sodium 4-propylbenzenesulfinate (CAS 89520-67-2)
- Semaglutide Impurity 122 (CAS CATO-C4X-2226122)
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