5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one CAS 876576-25-9
| CAS No. | 876576-25-9 |
| Molecular Formula | C11H19N3O2S |
| Molecular Weight | 257.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 257.35 g/mol gives 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one (CAS 876576-25-9), a certified reference material (molecular formula C11H19N3O2S, MW 257.35 g/mol) for analytical method development and quality control.
The molecular framework of 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one (C11H19N3O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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 presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one 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 | C11H19N3O2S |
| Molecular Weight | 257.35 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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 |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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