4-Amino-4-(3-chlorobenzyl)tetrahydro-2h-thiopyran 1,1-dioxide hydrochloride CAS 2490698-17-2
| CAS No. | 2490698-17-2 |
| Molecular Formula | C12H16ClNO2S |
| Molecular Weight | N/A |
| 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.
4-Amino-4-(3-chlorobenzyl)tetrahydro-2h-thiopyran 1,1-dioxide hydrochloride (CAS 2490698-17-2) is a high-purity analytical reference standard with the molecular formula C12H16ClNO2SHCl and a molecular weight of 310.23 g/mol.
The molecular framework of 4-Amino-4-(3-chlorobenzyl)tetrahydro-2h-thiopyran 1,1-dioxide hydrochloride (C12H16ClNO2SHCl) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
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 | C12H16ClNO2S HCl |
| Molecular Weight | 310.23 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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