5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazole CAS 296272-93-0
| CAS No. | 296272-93-0 |
| Molecular Formula | C9H8N4O2S |
| Molecular Weight | 236.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazole (CAS 296272-93-0) is a high-purity analytical reference standard with the molecular formula C9H8N4O2S and a molecular weight of 236.25 g/mol.
Structurally, 5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazole (C9H8N4O2S) 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 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 236.25 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C9H8N4O2S |
| Molecular Weight | 236.25 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Nitrobenzyl Standards
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- 4-(4-Methyl-3-nitrobenzyl)morpholine (CAS 750632-03-2)
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Recommended Standards
- 5-((1H-Imidazol-2-yl)thio)-2-nitroaniline (CAS 55564-49-3)
- 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-thiol (CAS 928710-56-9)
- 4-Methyl-6-(5-nitrothiophen-2-yl)pyrimidin-2-amine (CAS 913322-63-1)
- 5-(Phenoxymethyl)-1,2,3-thiadiazole-4-carboxylic acid (CAS 4609-51-2)
- 2,4-Dichloro-6-(methylsulfonyl)pyrimidine (CAS 1048389-45-2)
- 5-Nitro-2-propylpyridine (CAS 217302-90-4)
- (5-Bromo-6-chloro-4-trifluoromethyl-pyridin-2-yl)-butyl-amine (CAS 1089330-46-0)
- Octahydrocyclopenta[c]pyrrole-4-carboxylic acid (CAS 1334147-36-2)
- Diethyl Quinoline-2,3-dicarboxylate (CAS 32413-08-4)
- 4-[2-(Pyridin-3-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine (CAS 1823183-22-7)
- MI-773 (CAS 1303607-07-9)
- 3-Dehydro Retinal (CAS 472-87-7)
- Vonoprazan Impurity 101 (CAS 1885094-62-1)
- Fibrinopeptide A, human TFA (CAS 61533-47-9)
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