N-(2-Methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea CAS 339104-14-2
| CAS No. | 339104-14-2 |
| Molecular Formula | C13H17F3N2OS |
| Molecular Weight | 306.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(2-Methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-(2-Methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea (CAS 339104-14-2), molecular formula C13H17F3N2OS and molecular weight 306.35 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H17F3N2OS, N-(2-Methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 306.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
CATO manufactures N-(2-Methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}propyl)urea under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H17F3N2OS |
| Molecular Weight | 306.35 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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