4-Methyl-3-(trifluoromethyl)-4,5-dihydro-1h-1,2,4-triazole-5-thione CAS 30682-81-6
| CAS No. | 30682-81-6 |
| Molecular Formula | C4H4F3N3S |
| Molecular Weight | 183.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Methyl-3-(trifluoromethyl)-4,5-dihydro-1h-1,2,4-triazole-5-thione (C4H4F3N3S) contains a nitrile group, sulfur-containing functionality, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-Methyl-3-(trifluoromethyl)-4,5-dihydro-1h-1,2,4-triazole-5-thione (CAS 30682-81-6) is a high-purity analytical reference standard with the molecular formula C4H4F3N3S and a molecular weight of 183.15 g/mol.
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 | 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.) | 1965 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- alpha-(Trifluoromethyl)thiazole-2-methanol (CAS 1206673-52-0)
- alpha-(Trifluoromethyl)thiazole-5-methanol (CAS 1206673-54-2)
- [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanamine (CAS 1260663-10-2)
- (2-(Trifluoromethyl)thiazol-5-yl)methanol (CAS 131748-97-5)
- [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanol (CAS 133046-47-6)
- [5-(Trifluoromethyl)-1,3-thiazol-2-yl]methanol (CAS 1434142-11-6)
- (5-(Trifluoromethyl)thiazol-4-yl)methanol (CAS 1478719-81-1)
- (4-(Trifluoromethyl)thiazol-5-yl)methanol (CAS 1708179-28-5)
Recommended Standards
- 4,6-Difluoro-5-methoxy-1H-indole (CAS 467452-32-0)
- 5-(Difluoromethoxy)-1h-indole (CAS 947380-11-2)
- 4-(1,1-Difluoro-2-hydroxyethyl)benzonitrile (CAS 2082663-46-3)
- 5-Methyl-2-(trifluoromethyl)thiazol-4-ol (CAS 544652-70-2)
- 3-[(3-chlorophenyl)methyl]oxolan-3-amine (CAS 1500641-40-6)
- 3-(2-Oxo-2-phenylethyl)pyrazin-2(1H)-one (CAS 66479-75-2)
- Fexarine (CAS 574013-67-5)
- (3R,4S)-1-(2,2-Difluoroethyl)-3,4-pyrrolidinediol (CAS 1690112-93-6)
- 3-Chloropyridin-4(1H)-one (CAS 142010-53-5)
- 2-((4-Isopropylphenyl)thio)-1-methyl-5-nitro-1H-indole-3-carbaldehyde (CAS 338416-13-0)
- Bicyclo[3.2.1]Octane-1,5-diamine (CAS 875311-38-9)
- [4-(2-Fluoro-5-methylphenyl)phenyl]acetic acid (CAS 1375068-96-4)
- 1-(4-(2-Chloro-4-nitrophenyl)piperazin-1-yl)ethan-1-one (CAS 101970-40-5)
- Fibrinopeptide A (human) (CAS 25422-31-5)
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