3-(3-Ethyl-5-mercapto-4H-1,2,4-triazol-4-yl)thietane 1,1-dioxide CAS 1856337-68-2
| CAS No. | 1856337-68-2 |
| Molecular Formula | C7H11N3O2S2 |
| Molecular Weight | 233.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3-(3-Ethyl-5-mercapto-4H-1,2,4-triazol-4-yl)thietane 1,1-dioxide (CAS 1856337-68-2), a certified reference material (molecular formula C7H11N3O2S2, MW 233.31 g/mol) for analytical method development and quality control.
The molecular framework of 3-(3-Ethyl-5-mercapto-4H-1,2,4-triazol-4-yl)thietane 1,1-dioxide (C7H11N3O2S2) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. 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. 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 | C7H11N3O2S2 |
| Molecular Weight | 233.31 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.) | 1995 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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