5-(Methylthio)-3-(trifluoromethyl)-1H-1,2,4-triazole CAS 111451-94-6
| CAS No. | 111451-94-6 |
| Molecular Formula | C4H4F3N3S |
| Molecular Weight | 183.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-(Methylthio)-3-(trifluoromethyl)-1H-1,2,4-triazole (CAS 111451-94-6), molecular formula C4H4F3N3S and molecular weight 183.15 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrile group, sulfur-containing functionality, fluorine substitution, 5-(Methylthio)-3-(trifluoromethyl)-1H-1,2,4-triazole is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 183.15 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
As a certified reference material (CRM), 5-(Methylthio)-3-(trifluoromethyl)-1H-1,2,4-triazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C4H4F3N3S |
| Molecular Weight | 183.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methylthio Standards
- 5-(Methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(1H)-one (CAS 40597-87-3)
- 5-(Methylthio)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7(4H)-one (CAS 62700-63-4)
- 7-(Methylthio)-[1,2,5]oxadiazolo[3,4-d]pyrimidin-5-amine (CAS 90180-93-1)
- 3-((Methylthio)methyl)picolinic acid (CAS 1342692-51-6)
- 2-Methyl-6-(methylthio)nicotinic acid (CAS 137347-37-6)
- 2-(Methylthio)-5-methylpyridine-3-carboxylic acid (CAS 1809158-18-6)
- 2-(Methylthio)nicotinohydrazide (CAS 232926-33-9)
- Methyl 2-(methylthio)isonicotinate (CAS 74470-39-6)
Recommended Standards
- 3-Ethoxy-2,6-difluorobenzonitrile (CAS 1092460-60-0)
- 6,7-Difluoro-1,2,3,4-tetrahydroquinolin-4-one (CAS 114417-39-9)
- 4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-thiol (CAS 1038337-22-2)
- 5-(2,2,2-Trifluoroethyl)-1,3,4-thiadiazol-2-amine (CAS 1154677-77-6)
- 1-(Tert-butylthio)-3-propylcyclobutane-1-carboxylic acid (CAS 1477719-70-2)
- N-(Triphenylphosphoranylidene)ethanamine (CAS 47182-04-7)
- 2-Hydroxyethyl 3-mercaptopropionate (CAS 52978-23-1)
- 4-Hydroxy-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (CAS 1804745-44-5)
- 4'-Ethyl-[1,1'-bi(cyclohexan)]-1-amine (CAS 1340205-84-6)
- Nicotredole (CAS 29876-14-0)
- 3-Oxo-3,4-dihydroquinoxaline-6-carbonitrile (CAS 917344-30-0)
- 2-Amino-N-((2S)-2-(benzyl(isopropyl)amino)cyclohexyl)-3-methylbutanamide (CAS 1354032-76-0)
- 3-Azabicyclo[3.2.1]octane Hydrochloride (CAS 20969-02-2)
- Tirzepatide Impurity 45 (CAS CATO-C4X-324045)
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