3-(Difluoromethyl)-5-(methylthio)-4h-1,2,4-triazol-4-amine CAS 869942-09-6
| CAS No. | 869942-09-6 |
| Molecular Formula | C4H6F2N4S |
| Molecular Weight | 180.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(Difluoromethyl)-5-(methylthio)-4h-1,2,4-triazol-4-amine (CAS 869942-09-6) is a high-purity analytical reference standard with the molecular formula C4H6F2N4S and a molecular weight of 180.18 g/mol.
The molecular framework of 3-(Difluoromethyl)-5-(methylthio)-4h-1,2,4-triazol-4-amine (C4H6F2N4S) is characterized by a nitrile group, sulfur-containing functionality, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C4H6F2N4S |
| Molecular Weight | 180.18 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Difluoromethyl Standards
- 3-(Difluoromethyl)-4,4-dimethylpentanoic acid (CAS 1889667-88-2)
- 3-(difluoromethyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 1052617-38-5)
- 5-(difluoromethyl)pyrazine-2-carboxylic acid (CAS 1174321-06-2)
- 3-(difluoromethyl)pyrazine-2-carboxylic acid (CAS 1443287-46-4)
- Methyl 2-(difluoromethyl)tetrahydrofuran-3-carboxylate (CAS 1706448-05-6)
- 4-(Difluoromethyl)oxane-4-carboxylic Acid (CAS 1783957-10-7)
- 2-(difluoromethyl)-5-methylfuran-3-carboxylic acid (CAS 189330-30-1)
- 4-(difluoromethyl)-1,2,3-thiadiazole-5-carboxylic acid (CAS 1018051-83-6)
Recommended Standards
- 3-(Aminomethyl)-5-fluoroindolin-2-one (CAS 518066-41-6)
- 3-(Thiophen-2-yl)furan-2,5-dione (CAS 339016-64-7)
- 3-(4-Fluoro-2-methylphenyl)acrylic acid (CAS 773129-48-9)
- 3-Amino-2-methyl-4-oxoazetidine-1-sulfonic acid (CAS 95586-88-2)
- N1,N4-Dimethylsuccinamide (CAS 16873-50-0)
- N-Methyl-1-(1H-pyrrol-2-yl)methanamine (CAS 26052-05-1)
- rel-Methyl (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylate (CAS 168141-96-6)
- Nicotinic acid 4-formyl-phenyl ester (CAS 15131-72-3)
- 1-(4-Fluorophenyl)-2-(piperazin-1-yl)ethan-1-one (CAS 556807-81-9)
- 6,7-Dimethoxy-2-(trifluoromethyl)-4H-benzo[d][1,3]oxazin-4-one (CAS 95274-63-8)
- 1-(Thiophen-3-yl)cyclopropane-1-carboxylic acid (CAS 162960-00-1)
- 5-(2,3-Dimethylbenzyl)-1H-imidazole hydrochloride hydrate (CAS 90038-00-9)
- 3-bromo-8-chloro-2-methylimidazo[1,2-a]pyrazine (CAS 1124321-36-3)
- Acetyl Dipeptide-1 (CAS 196604-48-5)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com