Thiamine /Vitamin B1 Impurity 52 CAS 252568-49-3
| CAS No. | 252568-49-3 |
| Molecular Formula | C6H8N2O3S |
| Molecular Weight | 188.20 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Thiamine /Vitamin B1 Impurity 52 (CAS 252568-49-3), a pharmacopoeial impurity reference standard (molecular formula C6H8N2O3S, MW 188.20 g/mol) used for the identification and quantification of trace impurities in APIs.
Structurally, Thiamine /Vitamin B1 Impurity 52 (C6H8N2O3S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 188.20 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for quantitative analysis by HPLC, GC, LC-MS/MS, or GC-MS as an external calibration standard; it can also be used for spiked-recovery experiments, LOD/LOQ determination, and LC-MS/MS multiple-reaction-monitoring (MRM) calibration.
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 | C6H8N2O3S |
| Molecular Weight | 188.20 g/mol |
| Purity | ≥95% |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Thiamine Standards
- Thiamine Impurity 39 (CAS 1697156-52-7)
- Thiamine Impurity N1 (CAS 7403-34-1)
- Thiamine /Vitamin B1 Impurity 44 (CAS CATO-C4X-187344)
- Thiamine Impurity 54 (CAS 1124-01-2)
- Thiamine Impurity 17 (CAS 73-66-5)
- Thiamine Impurity 33 (CAS 861031-76-7)
- Thiamine Impurity 37 (CAS 1698838-89-9)
- Thiamine Impurity 38 (CAS 1199782-58-5)
Recommended Standards
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- Buspirone Impurity 24 (CAS 1800242-04-9)
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- Levofloxacin Impurity 40 (CAS 106939-30-4)
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- 2-Cyano-3-phenyl-2-butenoic acid ethyl ester (cis-trans isomer mixture) (CAS 18300-89-5)
- Strychnine (CAS 57-24-9)
- (Thr(PO3H2)231)-Tau Peptide (225-237) trifluoroacetate salt (CAS 1670270-09-3)
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