2-((3-Fluoropropyl)thio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS 861208-12-0
| CAS No. | 861208-12-0 |
| Molecular Formula | C10H13FN4S |
| Molecular Weight | 240.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2-((3-Fluoropropyl)thio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (C10H13FN4S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
2-((3-Fluoropropyl)thio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 861208-12-0), molecular formula C10H13FN4S and molecular weight 240.30 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C10H13FN4S |
| Molecular Weight | 240.30 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Fluoropropyl Standards
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- 4-{5-[(3-fluoropropyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridine (CAS 477856-92-1)
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Recommended Standards
- 2-((3-Aminopropyl)amino)-7-methylquinoline-3-carbonitrile (CAS 917746-14-6)
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- 1-Isopropyl-4-methoxy-2-phenyl-1H-pyrrole-3-carbonitrile (CAS 51597-34-3)
- 2-([1,1'-Biphenyl]-4-yl)-2-methyl-1,3-dioxolane (CAS 6135-51-9)
- 2-(4-Methoxyphenyl)-6-methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid (CAS 1431729-13-3)
- 2,3,4,5-Tetrabromobenzoic Acid (CAS 27581-13-1)
- 7-Bromo-3-methylisoquinoline (CAS 1416713-25-1)
- 2-(2-Bromothiophen-3-yl)acetonitrile (CAS 209796-22-5)
- 2H-Perfluoro-2-decenoic Acid (CAS 70887-84-2)
- 2-(3-Bromophenyl)-5,5-diethylmorpholine (CAS 1281630-53-2)
- 2-Phenyl-4-(piperazin-1-yl)pyrimidine (CAS 1143623-59-9)
- 3-(Difluoromethyl)-4-methoxypyridine-2,6-diamine (CAS 1805953-71-2)
- 2,3-Dimethoxy-1-propanol (CAS 40453-77-8)
- Myristoyl Pentapeptide-4 (CAS 1392416-25-9)
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