Ethyl 2-((5-(3-(2-(4-chlorophenoxy)ethyl)ureido)-1,3,4-thiadiazol-2-yl)thio)acetate CAS 866042-03-7
| CAS No. | 866042-03-7 |
| Molecular Formula | C15H17ClN4O4S2 |
| Molecular Weight | 416.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 416.90 g/mol gives Ethyl 2-((5-(3-(2-(4-chlorophenoxy)ethyl)ureido)-1,3,4-thiadiazol-2-yl)thio)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 2-((5-(3-(2-(4-chlorophenoxy)ethyl)ureido)-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 866042-03-7), molecular formula C15H17ClN4O4S2 and molecular weight 416.90 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 2-((5-(3-(2-(4-chlorophenoxy)ethyl)ureido)-1,3,4-thiadiazol-2-yl)thio)acetate (C15H17ClN4O4S2) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H17ClN4O4S2 |
| Molecular Weight | 416.90 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- Tolvaptan Impurity 80 (CAS CATO-C4X-195580)
- 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2(1H)-one (CAS 1706753-51-6)
- 2-Chloro-6-(piperazin-1-yl)-9h-purine (CAS 1105192-82-2)
- 2-amino-5H-phenanthridin-6-one (CAS 78256-05-0)
- 1-Methylpiperidine-4-carbonitrile (CAS 20691-92-3)
- 3,5-Dinitro-L-tyrosine monohydrate (CAS 71876-88-5)
- Methyl 4-(hydroxymethyl)-2-azabicyclo[2.1.1]Hexane-1-carboxylate (CAS 1708037-97-1)
- 7-Bromo-1,4-dioxaspiro[4.5]decan-8-one (CAS 943589-83-1)
- Methyl (R)-2-(pyrrolidin-3-yl)acetate (CAS 1024586-63-7)
- Adrenaline Impurity 16 HCl (CAS 857565-22-1)
- Pancreatic Polypeptide (bovine) (CAS 179986-89-1)
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