Ethyl 2-(3-(tert-butyl)-2-((2-chloro-5-(trifluoromethyl)phenyl)imino)-3,4-dihydro-2h-1,3,4-thiadiazin-5-yl)acetate CAS 560995-30-4
| CAS No. | 560995-30-4 |
| Molecular Formula | C18H21ClF3N3O2S |
| Molecular Weight | 435.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 435.89 g/mol gives Ethyl 2-(3-(tert-butyl)-2-((2-chloro-5-(trifluoromethyl)phenyl)imino)-3,4-dihydro-2h-1,3,4-thiadiazin-5-yl)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 2-(3-(tert-butyl)-2-((2-chloro-5-(trifluoromethyl)phenyl)imino)-3,4-dihydro-2h-1,3,4-thiadiazin-5-yl)acetate (CAS 560995-30-4) is a high-purity analytical reference standard with the molecular formula C18H21ClF3N3O2S and a molecular weight of 435.89 g/mol.
Structurally, Ethyl 2-(3-(tert-butyl)-2-((2-chloro-5-(trifluoromethyl)phenyl)imino)-3,4-dihydro-2h-1,3,4-thiadiazin-5-yl)acetate (C18H21ClF3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 435.89 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Ethyl 2-(3-(tert-butyl)-2-((2-chloro-5-(trifluoromethyl)phenyl)imino)-3,4-dihydro-2h-1,3,4-thiadiazin-5-yl)acetate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C18H21ClF3N3O2S |
| Molecular Weight | 435.89 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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