4-Isothiocyanato-N-(5-methylisoxazol-3-yl)-benzenesulfonamide CAS 956576-66-2
| CAS No. | 956576-66-2 |
| Molecular Formula | C11H9N3O3S2 |
| Molecular Weight | 295.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Isothiocyanato-N-(5-methylisoxazol-3-yl)-benzenesulfonamide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Isothiocyanato-N-(5-methylisoxazol-3-yl)-benzenesulfonamide (CAS 956576-66-2), molecular formula C11H9N3O3S2 and molecular weight 295.34 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Isothiocyanato-N-(5-methylisoxazol-3-yl)-benzenesulfonamide (C11H9N3O3S2) 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 295.34 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-Isothiocyanato-N-(5-methylisoxazol-3-yl)-benzenesulfonamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H9N3O3S2 |
| Molecular Weight | 295.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Isothiocyanato Standards
- Ethyl 2-isothiocyanato-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 669728-60-3)
- 4-Isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide (CAS 51908-30-6)
- 4-Isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide (CAS 64047-46-7)
- 4-Isothiocyanato-N-(tetrahydrofuran-2-ylmethyl)-benzenesulfonamide (CAS 956576-77-5)
- 4-Isothiocyanato-N,N-dipropylbenzenesulfonamide (CAS 101265-24-1)
- 4-Isothiocyanato-N-phenylbenzenesulfonamide (CAS 100382-12-5)
- Ethyl 2-isothiocyanato-5-phenylthiophene-3-carboxylate (CAS 85716-86-5)
- Methyl 2-isothiocyanato-5-methyl-4-phenylthiophene-3-carboxylate (CAS 588682-00-2)
Recommended Standards
- 4-Imino-3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinazolin-2-one (CAS 2097935-87-8)
- 5-(2,5-Dimethyl-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carbohydrazide (CAS 955964-23-5)
- 4-[4-(Benzyloxy)phenyl]-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860786-70-5)
- 5-(Benzo[c][1,2,5]oxadiazol-5-yl)-N-cyclopentyl-2-methylpyrimidin-4-amine (CAS 917896-19-6)
- 4-Chloro-6-methyl-1-(pentan-3-yl)-1h-pyrazolo[3,4-d]pyrimidine (CAS 1247791-68-9)
- 4-Bromo-5-isobutyl-1H-pyrazole-3-carboxylic acid (CAS 222729-57-9)
- 5-tert-Butyl 3-ethyl 6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazole-3,5(4H)-dicarboxylate (CAS 1369502-87-3)
- N-[[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl]-3-methyl-L-valine (CAS 1185889-12-6)
- Rivaroxaban Impurity 133 (CAS 130155-41-8)
- 2-(4-Chlorophenyl)-2-morpholinoethanethioamide (CAS 951902-97-9)
- Furosemide Impurity 15 (CAS CATO-C4X-140215)
- 2,5-Dimethyl-4,6-diphenyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyrrole (CAS 400085-71-4)
- S-Phenyl 4-methylbenzenesulfonothioate (CAS 3541-14-8)
- Des-Pro36-Tirzepatide (CAS CATO-CPTD788937)
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