2-Imino-6-nitro-2,3-dihydro-4h-benzo[e][1,3]thiazin-4-one CAS 4501-67-1
| CAS No. | 4501-67-1 |
| Molecular Formula | C8H5N3O3S |
| Molecular Weight | 223.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-Imino-6-nitro-2,3-dihydro-4h-benzo[e][1,3]thiazin-4-one (CAS 4501-67-1) is a high-purity analytical reference standard with the molecular formula C8H5N3O3S and a molecular weight of 223.21 g/mol.
The molecular framework of 2-Imino-6-nitro-2,3-dihydro-4h-benzo[e][1,3]thiazin-4-one (C8H5N3O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C8H5N3O3S |
| Molecular Weight | 223.21 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- (5-Nitrofuran-2-yl)(thiophen-2-yl)methanone (CAS 64258-99-7)
- 5-(3-Nitrophenoxy)-1,2,3-thiadiazole (CAS 338421-21-9)
- 5-Iodo-2-methylpyridine (CAS 695-17-0)
- P-tolyl (chlorosulfonyl)carbamate (CAS 156150-68-4)
- 3-(5-Iodo-1-oxoisoindolin-2-yl)piperidine-2,6-dione (CAS 2291364-01-5)
- 2-(4-Chlorophenyl)-8-methylindolizine (CAS 590395-46-3)
- (R)-Pyrrolidine-3-carboxamide (CAS 848488-76-6)
- N-(3-Carbamoyl-5-phenylthiophen-2-yl)-1-((4-methoxyphenyl)sulfonyl)piperidine-3-carboxamide (CAS 952843-69-5)
- 4-((3-Oxobutan-2-yl)oxy)benzonitrile (CAS 306979-60-2)
- Inpyrfluxam (CAS 1352994-67-2)
- Hexyllithium, 2.3 M in Hexane (CAS 21369-64-2)
- Semaglutide Impurity 133 (CAS CATO-C4X-2226133)
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