1λ⁶,4-thiazepane-1,1-dione hydrochloride CAS 595597-04-9
| CAS No. | 595597-04-9 |
| Molecular Formula | C5H11NO2S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1λ⁶,4-thiazepane-1,1-dione hydrochloride (CAS 595597-04-9), molecular formula C5H11NO2SHCl and molecular weight 185.67 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1λ⁶,4-thiazepane-1,1-dione hydrochloride (C5H11NO2SHCl) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 1λ⁶,4-thiazepane-1,1-dione hydrochloride 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 | C5H11NO2S HCl |
| Molecular Weight | 185.67 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 0.0 |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related thiazepane Standards
- 1,4-Thiazepane (CAS 101184-85-4)
- 5-Oxo-1,4-thiazepane-3-carboxylic acid (CAS 108051-20-3)
- 1,2-Thiazepane 1,1-dioxide (CAS 108214-54-6)
- 1,4-thiazepane;hydrochloride (CAS 108724-14-7)
- 1,4-Thiazepane-4-sulfonyl chloride (CAS 1249783-02-5)
- 6-methyl-1,4-thiazepane (CAS 1428233-59-3)
- 7-methyl-1,4-thiazepane (CAS 1428233-61-7)
- 3-Phenyl-1,4-thiazepane (CAS 1485107-76-3)
Recommended Standards
- 5-(4,4-Difluoro-piperidin-1-yl)-pentanenitrile (CAS 1416352-06-1)
- 4-Chloro-5-methanesulfinyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 1389264-16-7)
- 2-(Difluoromethoxy)-2'-(trifluoromethoxy)-5-(trifluoromethyl)biphenyl (CAS 1261728-92-0)
- Ethyl 6-iodopyrazolo[1,5-a]pyridine-3-carboxylate (CAS 55899-32-6)
- Avibactam Impurity 143 (CAS CATO-C4X-1348143)
- 2-Chloro-N-[3-(diethylsulfamoyl)phenyl]acetamide (CAS 379255-46-6)
- Ammonium (R)-2,3-bis(palmitoyloxy)propyl (2,3-dihydroxypropyl) phosphate (CAS 1373168-73-0)
- 5-(tert-Butoxy)pyridin-3-ol (CAS 1243395-34-7)
- methyl 4-[(3R)-3-oxidanylpyrrolidin-1-yl]benzoate (CAS 134031-02-0)
- Insulin Degludec Impurity 3 (CAS CATO-C4X-21573)
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