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Sulbutiamine (CAS 3286-46-2) is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, structural verification and laboratory-based comparison workflows. This synthetic thiamine-derived disulfide compound is provided exclusively for controlled research environments requiring confirmed chemical identity, reproducible analytical characteristics and reference-level consistency.
Sulbutiamine is available directly through the Rexar webshop and is supplied in sealed laboratory packaging for distribution within the European Union.
Rexar Technical Compound Datasheet (PDF)
Sulbutiamine is a synthetic disulfide derivative of thiamine (vitamin B1). Structurally, it consists of two modified thiamine units linked through a central disulfide bridge. The molecule incorporates pyrimidine rings, thiazole-derived fragments, ester functionalities and sulfur-containing linkages within a symmetrical dimeric framework.
The molecular formula C32H46N8O6S2 reflects the presence of multiple nitrogen-containing heterocycles and two sulfur atoms forming the disulfide bond. With a molecular weight of 680.9 g/mol, Sulbutiamine belongs to the higher molecular weight range of small synthetic organic compounds commonly referenced in analytical research.
The central structural feature of Sulbutiamine is the S–S (disulfide) bond connecting two thiamine-derived fragments. Disulfide linkages introduce redox-sensitive characteristics under certain laboratory conditions and can be analytically monitored through reduction and oxidation studies.
The presence of sulfur atoms contributes to distinctive isotopic patterns in mass spectrometric analysis and characteristic vibrational bands in infrared spectroscopy. Disulfide bonds typically display absorption bands in the 500–550 cm⁻¹ region.
Each half of the molecule contains a modified pyrimidine system derived from thiamine. Pyrimidine heterocycles contribute aromatic character and defined UV absorption properties. The conjugated nitrogen atoms within the ring influence electron distribution and hydrogen bonding potential.
The isobutyryl ester substitutions increase lipophilicity compared to unmodified thiamine structures. This modification alters chromatographic retention behaviour under reversed-phase conditions.
Due to its dimeric nature, Sulbutiamine exhibits partial symmetry across the disulfide axis. However, rotational flexibility around carbon–carbon and carbon–nitrogen bonds allows multiple conformational arrangements in solution.
Conformational modeling may evaluate torsional angles around ester linkages and disulfide bonds. The S–S bond length and dihedral angles can influence three-dimensional geometry under different solvent environments.
The ester groups introduce hydrolysis sensitivity under strongly acidic or basic laboratory conditions, while remaining stable under recommended storage parameters. Amide bonds contribute resonance stabilization and restricted rotational freedom.
The molecular ion corresponds to 680.9 g/mol. Sulfur atoms produce characteristic isotopic distributions due to the natural abundance of ³²S and ³⁴S isotopes. Fragmentation pathways may include cleavage of ester linkages or reduction of the disulfide bond under specific ionization conditions.
High-resolution mass spectrometry (HRMS) confirms elemental composition and supports structural verification protocols.
Infrared spectroscopy may reveal absorption bands corresponding to ester carbonyl stretches, amide functionalities and disulfide vibrations. Proton NMR analysis differentiates aromatic pyrimidine protons from aliphatic chain protons and methyl substituents.
Carbon NMR enables confirmation of carbonyl carbons, aromatic ring carbons and aliphatic chain environments. These reproducible spectral characteristics support identity confirmation in laboratory workflows.
Sulbutiamine's increased lipophilicity relative to thiamine influences its retention in reversed-phase HPLC systems. Gradient optimization may be required to achieve baseline separation from structurally related derivatives or degradation products.
Mobile phase pH and solvent composition can influence ester stability and peak symmetry. Buffered systems may enhance reproducibility during method validation procedures.
Disulfide bonds may undergo reduction under specific experimental conditions, forming corresponding thiol species. In analytical environments, maintaining controlled redox conditions prevents structural alteration during sample preparation.
Stability studies may assess resistance to oxidation, reduction or hydrolysis under standardized laboratory protocols.
Sulbutiamine is typically encountered as a white crystalline powder. Crystallinity contributes to defined melting characteristics and consistent handling properties. Protection from excessive humidity supports long-term storage stability.
What is the CAS number of Sulbutiamine?
The CAS number of Sulbutiamine is 3286-46-2.
What structural feature distinguishes Sulbutiamine?
Sulbutiamine contains a central disulfide bond linking two thiamine-derived fragments.
In which form is Sulbutiamine supplied?
This product is supplied as a white crystalline powder in sealed laboratory packaging.
Is this product intended for human or animal use?
No. This material is supplied exclusively as a laboratory reference compound.
Is Sulbutiamine available for shipment within the EU?
Yes. Orders are supplied through the Rexar webshop in sealed laboratory packaging.
The disulfide bond present in Sulbutiamine introduces potential redox-responsive behavior under controlled laboratory environments. Disulfide bridges can undergo reversible cleavage to yield corresponding thiol groups under reducing conditions. In analytical workflows, maintaining defined redox conditions prevents structural alteration during sample preparation and storage.
Reduction studies using standard laboratory reagents may be employed to evaluate structural stability and confirm the presence of the disulfide linkage. Oxidative environments, conversely, may reinforce S–S bond integrity when properly controlled.
Sulbutiamine contains multiple heteroatoms including nitrogen, oxygen and sulfur. These heteroatoms influence electron density distribution across the molecule and contribute to intermolecular hydrogen bonding potential.
The pyrimidine nitrogen atoms participate in electron delocalization within the aromatic system, while carbonyl oxygen atoms from ester groups serve as hydrogen bond acceptors. Sulfur atoms within the disulfide bridge introduce additional polarizability, which may influence chromatographic retention and solvent interactions.
With a molecular weight of 680.9 g/mol, Sulbutiamine occupies the upper range of small synthetic organic reference compounds. Higher molecular weight compounds may demonstrate altered diffusion properties in solution and distinct chromatographic migration patterns compared to lower molecular weight analogues.
The increased molecular size contributes to defined retention behavior in reversed-phase systems and may require adjusted gradient slopes during analytical method optimization.
The presence of ester groups and aromatic heterocycles provides moderate polarity, while aliphatic chains and disulfide linkage introduce hydrophobic character. This amphiphilic balance influences solubility behavior in organic solvents and mixed aqueous-organic systems.
Solvent selection during analytical preparation should account for ester stability and avoidance of prolonged exposure to strongly acidic or basic conditions.
In comparative structural investigations, Sulbutiamine can be differentiated from unmodified thiamine derivatives by its disulfide bridge and ester substitutions. These structural modifications generate distinct chromatographic retention times and spectroscopic signatures.
Mass spectral fragmentation patterns differ significantly from thiamine due to the presence of the S–S linkage and expanded carbon framework. These analytical differences support reliable identification within compound libraries and reference databases.
Thermal analysis techniques such as differential scanning calorimetry (DSC) may be used to evaluate melting transitions and solid-state stability. Crystalline uniformity supports reproducible weighing and sample preparation in laboratory environments.
Protection from moisture and excessive heat supports long-term preservation of structural integrity.
As a research-grade chemical reference material, Sulbutiamine may be incorporated into internal laboratory documentation systems using its unique CAS number and molecular identifiers. Batch traceability supports analytical reproducibility and consistent experimental referencing.
Clear labeling and sealed packaging maintain material integrity during storage and transport across laboratory facilities.
This product is intended for laboratory research use only. It is not intended for human or animal consumption, nor for medical, diagnostic, or therapeutic applications.
| Intended use: | Laboratory research and analytical reference purposes only |
| Application area: | Analytical chemistry, reference comparison and method development |
| End user: | Professional users in controlled research environments |
| Regulatory classification: | Chemical reference material |
