(R)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea CAS 1048692-61-0
| CAS No. | 1048692-61-0 |
| Molecular Formula | C16H21F6N3S |
| Molecular Weight | 401.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea (CAS 1048692-61-0), molecular formula C16H21F6N3S and molecular weight 401.41 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (R)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea (C16H21F6N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 401.41 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C16H21F6N3S |
| Molecular Weight | 401.41 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(2S)-2-(dimethylamino)-3-methylbutyl]thiourea (CAS 1048692-60-9)
- 1142205-89-7 9360AC C20H23N3O6 [{2-[4-(2-Furoyl)piperazin-1-yl]-2-oxoethyl}-(4-methoxyphenyl)amino]acetic acid (CAS 1142205-89-7)
- (S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea (CAS 1048692-50-7)
- N-(1-(4-Nitrophenyl)-3-oxo-3-(p-tolylamino)prop-1-en-2-yl)benzamide (CAS 1164563-62-5)
- 25084-14-4 A817634 N-[bis(2-chloroethyl)aminomethyl]-4-methyl-benzamide N-[bis(2-chloroethyl)aminomethyl]-4-methylbenzamide (CAS 25084-14-4)
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- 1-Bromo-3-(bromomethyl)-2-methoxybenzene (CAS 1177558-47-2)
- Insulin Degludec Impurity 15 (CAS CATO-C4X-215715)
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