N-[2-(1H-Indol-3-yl)ethyl]-N-[4-(trifluoromethoxy)phenyl]thiourea CAS 946386-84-1
| CAS No. | 946386-84-1 |
| Molecular Formula | C18H16F3N3OS |
| Molecular Weight | 379.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-[2-(1H-Indol-3-yl)ethyl]-N-[4-(trifluoromethoxy)phenyl]thiourea is closely related to a steroid core, 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-(1H-Indol-3-yl)ethyl]-N-[4-(trifluoromethoxy)phenyl]thiourea (CAS 946386-84-1) is a high-purity analytical reference standard with the molecular formula C18H16F3N3OS and a molecular weight of 379.40 g/mol.
Structurally, N-[2-(1H-Indol-3-yl)ethyl]-N-[4-(trifluoromethoxy)phenyl]thiourea (C18H16F3N3OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 379.40 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C18H16F3N3OS |
| Molecular Weight | 379.40 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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