3-(4-(Benzo[d]oxazol-2-yl)-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide CAS 321571-61-3
| CAS No. | 321571-61-3 |
| Molecular Formula | C14H13N3O3S |
| Molecular Weight | 303.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(4-(Benzo[d]oxazol-2-yl)-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide (CAS 321571-61-3), molecular formula C14H13N3O3S and molecular weight 303.34 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(4-(Benzo[d]oxazol-2-yl)-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide (C14H13N3O3S) 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 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 303.34 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C14H13N3O3S |
| Molecular Weight | 303.34 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Benzo Standards
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Recommended Standards
- 2-Oxo-N-(p-tolyl)-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonamide (CAS 865613-84-9)
- 3-[(4-Aminophenyl)thio]-1-(5-methylisoxazol-3-yl)-pyrrolidine-2,5-dione (CAS 931291-42-8)
- 2-Methyl-5-((phenylsulfonyl)methyl)pyrazolo[1,5-a]pyrimidin-7(1H)-one (CAS 691868-63-0)
- 4-[(2-Aminophenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-methyloxime (CAS 860786-01-2)
- 3-Phenyl-4-(phenylsulfonyl)-4,5-dihydro-3H-pyrazole (CAS 93733-24-5)
- 4-Chloro-N-(2-(diethylamino)ethyl)benzamide (CAS 2852-23-5)
- N-((1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-yl)methyl)butan-1-amine hydrochloride (CAS 1856093-44-1)
- 4-Bromo-1-(propan-2-yl)-1h-pyrazole-3-carboxylic acid (CAS 1006451-37-1)
- 3-(4-Chlorophenyl)propanimidamide hydrochloride (CAS 1102374-40-2)
- (2,4,5-Trimethylphenyl)methanesulfonyl chloride (CAS 1251227-56-1)
- Omadacycline Impurity 34 (CAS CATO-C4X-285734)
- Methyl 1-(2,1,3-benzothiadiazol-4-ylmethyl)-2,6-dioxo-3H-pyrimidine-4-carboxylate (CAS 1420776-13-1)
- 2-(Tert-butyl)-3-hydroxy-4-(trifluoromethyl)isoindolin-1-one (CAS 1242336-58-8)
- Semaglutide Impurity 138 (CAS CATO-C4X-2226138)
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