Benzo[1,3]dioxole-5-carboxylic acid (5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-amide CAS 737779-74-7
| CAS No. | 737779-74-7 |
| Molecular Formula | C12H12N4O3S |
| Molecular Weight | 292.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Benzo[1,3]dioxole-5-carboxylic acid (5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-amide (C12H12N4O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 292.31 g/mol, it falls into the medium-molecular-weight range. 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).
CATO supplies Benzo[1,3]dioxole-5-carboxylic acid (5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-amide (CAS 737779-74-7), a certified reference material (molecular formula C12H12N4O3S, MW 292.31 g/mol) for analytical method development and quality control.
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 | C12H12N4O3S |
| Molecular Weight | 292.31 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Benzo Standards
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- 3-(1H-Benzo[d]imidazol-2-yl)-N-phenylazetidine-1-carboxamide (CAS 1351588-94-7)
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- 3-(1-(1H-Benzo[d][1,2,3]triazol-1-yl)butyl)thiazolidine-2-thione (CAS 849414-07-9)
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Recommended Standards
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- 4-(5-Fluoropyridin-3-yl)morpholine (CAS 1707391-17-0)
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- 2,2-Diphenylpropanenitrile (CAS 5558-67-8)
- Azalomycin F5 (CAS 85113-99-1)
- 2-(Bromomethyl)-6-(trifluoromethyl)benzo[d]oxazole (CAS 1806318-34-2)
- 6-Tert-Butyl-2-Methoxy-4,4-Bis(Trifluoromethyl)-1,3,2-Dioxaborinane (CAS 100991-78-4)
- tert-Butyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate (CAS 1792190-72-7)
- 3,5-Dimethyl-N-((1-methyl-1H-pyrrol-2-yl)methylene)aniline (CAS 919782-17-5)
- Rac1 Inhibitor F56, control peptide (CAS 1315378-77-8)
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