3-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-1λ⁶-thiolane-1,1-dione CAS 869716-11-0
| CAS No. | 869716-11-0 |
| Molecular Formula | C8H17N3O2S2 |
| Molecular Weight | 251.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 3-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-1λ⁶-thiolane-1,1-dione (CAS 869716-11-0), a certified reference material (molecular formula C8H17N3O2S2, MW 251.37 g/mol) for analytical method development and quality control.
The molecular framework of 3-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-1λ⁶-thiolane-1,1-dione (C8H17N3O2S2) is characterized by an amide group, a sulfone group, a carboxylic acid 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. 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.
Physical & Chemical Properties
| Molecular Formula | C8H17N3O2S2 |
| Molecular Weight | 251.37 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 | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related methyl Standards
- 1-Phenyl-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea (CAS 31199-89-0)
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- 2-Phenyl-8-sulfanyl-1,4-dihydroquinolin-4-one (CAS 338966-55-5)
- 2-(4-Benzyl-5-sulfanyl-4h-1,2,4-triazol-3-yl)acetic acid (CAS 170746-99-3)
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- phenyl[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methanone (CAS 51988-14-8)
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Recommended Standards
- 3-(3-Phenylpropyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 872467-80-6)
- 4-Allyl-5-(4,5-dimethylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 522597-54-2)
- 2-(1-Adamantyl)-1H-indole (CAS 26845-72-7)
- 4-Allyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 522597-66-6)
- 5-Ethoxy-2-Oxazolecarboxylic Acid Ethyl Ester (CAS 68208-09-3)
- 1-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile (CAS 1250607-76-1)
- 4-Chloro-3-(2-methoxyethoxy)-phenylamine (CAS 769961-43-5)
- 1H-pyrrolo[2,3-c]pyridin-5-ol (CAS 1935918-53-8)
- 2-(4-Fluorobenzyl)-1H-benzo[d]imidazole (CAS 725-49-5)
- 3,4-Dihydro-6-methoxy-7-(phenylmethoxy)-1-[[4-(phenylmethoxy)phenyl]methyl]-isoquinoline (CAS 500577-65-1)
- 1-(P-tolyl)-3-((4-(trifluoromethyl)phenyl)amino)propan-1-one (CAS 477334-19-3)
- 3-chloro-1-benzofuran-7-carbaldehyde (CAS 1428415-53-5)
- N,3-Dimethyloxetan-3-amine hydrochloride (CAS 1365969-62-5)
- Semaglutide impurity 32 (CAS CATO-C4X-222632)
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