HBT-1 is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, compound identification and laboratory comparison workflows. This substituted tetrahydrobenzothiophene derivative incorporates pyrazole, amide, trifluoromethyl and sulfur-containing structural features and is provided exclusively for controlled research environments requiring verified chemical identity, consistent structural documentation and reproducible analytical comparison.
Research-grade material distributed by Rexar within the European Union.
HBT-1 (CAS 489408-02-8) is supplied in sealed laboratory packaging to support traceability, storage integrity and laboratory handling procedures.
Rexar Technical Compound Datasheet (PDF)
Molecular structure data and selected physicochemical properties can be consulted via: HBT-1 on PubChem
HBT-1 is a synthetic heterocyclic compound with the molecular formula C16H17F3N4O2S. Its molecular architecture combines a substituted pyrazole ring, an acetamide linker and a partially saturated benzothiophene-derived ring system carrying a carboxamide group.
The structure also contains a trifluoromethyl substituent attached to the pyrazole ring and several nitrogen-, oxygen-, fluorine- and sulfur-containing functional environments. This combination produces a chemically complex small-molecule framework suitable for chromatographic and spectroscopic characterisation.
A defining structural element of HBT-1 is its 4,5,6,7-tetrahydrobenzothiophene framework. This fused bicyclic system combines a sulfur-containing thiophene ring with a partially saturated carbocyclic ring.
The fusion of aromatic-like heterocyclic and saturated structural regions produces chemically distinct carbon environments and contributes to the compound’s characteristic chromatographic and spectroscopic profile.
HBT-1 contains a substituted pyrazole ring incorporating two adjacent nitrogen atoms. This heteroaromatic five-membered ring carries both a methyl substituent and a trifluoromethyl group.
The pyrazole nitrogen atoms and substituent pattern influence molecular polarity, electronic distribution and potential intermolecular interactions under analytical conditions.
The molecular formula C16H17F3N4O2S reflects a structure containing carbon, hydrogen, fluorine, nitrogen, oxygen and sulfur distributed across several chemically distinct functional groups.
The combination of heteroaromatic, amide, fluorinated and sulfur-containing structural elements provides multiple analytical markers for comparative compound identification.
HBT-1 contains two distinct carbonyl-containing amide environments: an acetamide linker and a carboxamide substituent attached to the tetrahydrobenzothiophene framework.
These amide groups contribute strongly to molecular polarity and hydrogen-bonding behaviour and may produce characteristic carbonyl absorption bands during infrared analysis.
The pyrazole ring carries a trifluoromethyl group containing three fluorine atoms bonded to the same carbon centre. This strongly electron-withdrawing substituent creates a distinct electronic environment within the heteroaromatic ring system.
The trifluoromethyl group also contributes a characteristic fluorinated structural marker that can support identification using appropriate mass-spectrometric and spectroscopic techniques.
The pyrazole component of HBT-1 contains two ring nitrogen atoms, while additional nitrogen atoms are present in the amide and carboxamide functionalities.
This distribution of nitrogen atoms contributes to hydrogen-bond donor and acceptor characteristics and can influence solvation, chromatographic retention and ionisation behaviour.
The tetrahydrobenzothiophene region contains one sulfur atom integrated directly into the fused heterocyclic ring system. This sulfur environment differs chemically from sulfur present in thioethers or sulfonamides.
The sulfur-containing ring contributes to molecular polarizability and can influence chromatographic selectivity and mass-spectrometric fragmentation pathways.
HBT-1 contains multiple hydrogen-bond donor and acceptor sites arising from its amide carbonyl groups, amide nitrogen atoms and pyrazole nitrogens.
The distribution of these sites may affect solvation, crystal packing, chromatographic behaviour and interactions with polar stationary phases.
The molecule combines polar amide and heterocyclic nitrogen functionalities with a fluorinated substituent and a partially hydrophobic fused ring system. This produces a balance between polar and less polar structural regions.
This mixed character is relevant when evaluating solvent selection, mobile-phase composition and sample preparation for analytical workflows.
The fused tetrahydrobenzothiophene region provides a partially constrained structural framework, while the acetamide linker introduces additional rotational flexibility between the pyrazole and fused heterocyclic portions of the molecule.
No defined stereogenic centre is present in the canonical PubChem representation, and the compound is represented without specified stereochemistry.
Under liquid chromatographic conditions, retention may be influenced by the fused sulfur-containing ring system, the trifluoromethyl substituent, heterocyclic nitrogen atoms and the two amide functionalities.
Retention time and peak shape may vary according to mobile-phase composition, pH, stationary-phase chemistry, temperature and sample concentration.
LC-based methods may be used for qualitative identity comparison, purity profiling and retention-time verification of HBT-1 reference material.
The combination of polar amide groups and less polar ring regions may require optimisation of gradient composition and stationary-phase chemistry to obtain appropriate retention and peak symmetry.
With a molecular weight of approximately 386.4 g/mol, HBT-1 falls within a mass range suitable for routine LC-MS analysis. Appropriate ionisation techniques may support detection of protonated, deprotonated or adducted molecular species depending on solvent composition and instrument conditions.
Fragmentation pathways may involve the acetamide linkage, substituted pyrazole region or sulfur-containing fused ring system and can support structural confirmation when compared with authenticated reference data.
Proton NMR analysis may show characteristic resonances associated with the pyrazole proton environment, methyl substituent, acetamide-linked methylene group and the aliphatic protons of the partially saturated fused ring.
Carbon NMR analysis may provide distinguishable signals corresponding to amide carbonyl carbons, trifluoromethyl-associated carbon, heterocyclic carbons and saturated ring carbon environments.
Infrared analysis may reveal characteristic absorption bands associated with amide carbonyl groups, N-H functionality and the heterocyclic molecular framework.
The two carbonyl-containing functionalities may produce distinct absorption features that can assist structural comparison when evaluated against an authenticated reference spectrum.
The trifluoromethyl substituent provides a chemically distinct fluorinated structural feature. Fluorine-containing compounds may exhibit characteristic behaviour in mass spectrometry and fluorine-sensitive spectroscopic methods.
The CF3 group also influences electronic distribution and lipophilic character within the pyrazole portion of the molecule.
The conjugated pyrazole and benzothiophene-derived structural regions may support ultraviolet-based chromatographic detection. Suitable detection wavelengths should be selected according to measured absorbance characteristics and validated laboratory methods.
Substitution by trifluoromethyl, amide and heteroatom-containing groups may influence the precise absorption profile of the compound.
HBT-1 is supplied as a laboratory powder. Solid-state characteristics such as crystallinity, particle morphology, residual moisture and residual solvent content may depend on manufacturing and purification procedures.
Analytical laboratories may use melting behaviour, powder analysis or spectroscopic comparison as supplementary identity indicators where appropriate.
HBT-1 may serve as a qualitative reference compound in structural verification and comparative analytical workflows involving LC-MS, HPLC, NMR and infrared spectroscopy. Laboratory procedures may include retention-time comparison, molecular-weight confirmation and comparative spectral profiling.
HBT-1 can be structurally classified as a substituted tetrahydrobenzothiophene derivative containing pyrazole, amide and trifluoromethyl functionalities.
Its molecular architecture differs from racetams, phenibut analogues, benzimidazole derivatives and simple nutrient-derived reference materials and provides several distinct structural markers for analytical comparison.
The tetrahydrobenzothiophene core combines a sulfur-containing five-membered heterocyclic ring with a partially saturated six-membered ring. This creates a fused framework containing both heterocyclic and aliphatic structural environments.
The fused core contributes characteristic carbon, proton and sulfur-associated environments that may assist analytical identification.
The pyrazole ring carries a methyl substituent and a trifluoromethyl substituent, while its nitrogen atom is connected through a methylene-containing acetamide linker to the tetrahydrobenzothiophene region.
This substitution pattern provides distinct heterocyclic and fluorinated features that may support chromatographic and spectroscopic differentiation from related compounds.
A short acetamide-containing linker connects the pyrazole region to the tetrahydrobenzothiophene framework. The linker contains a methylene group adjacent to both a pyrazole nitrogen and an amide carbonyl.
This arrangement creates a chemically distinctive methylene environment and contributes additional polarity between the two heterocyclic structural regions.
The nitrogen- and carbonyl-containing functionalities of HBT-1 may influence protonation and ionisation behaviour under different analytical conditions.
Mobile-phase pH, solvent composition and ionisation parameters can therefore affect chromatographic retention and mass-spectrometric response.
The molecular formula C16H17F3N4O2S contains three fluorine atoms in a trifluoromethyl group, four nitrogen atoms distributed across pyrazole and amide functionalities, two oxygen atoms within carbonyl groups and one sulfur atom in the fused heterocyclic framework.
Theoretical elemental composition may support identity verification when combined with mass spectrometry and spectroscopic analysis.
As a chemical reference material, HBT-1 may be used for qualitative structural comparison, method development and analytical identity verification in laboratories examining substituted heterocycles, fluorinated research compounds or benzothiophene-derived reference materials.
Analytical reproducibility depends on consistent sample preparation, validated instrument parameters, suitable reference documentation and controlled storage conditions.
Each unit is supplied in sealed laboratory packaging designed to support material integrity during storage and transport. Batch identification labelling supports traceability and internal documentation within controlled research environments.
Packaging should remain closed when the material is not in use and should be protected from moisture, excessive heat and direct light.
What is the CAS number of HBT-1?
The CAS number is 489408-02-8.
What is the PubChem CID of HBT-1?
The PubChem compound identifier is 1222102.
What is the molecular formula of HBT-1?
The molecular formula is C16H17F3N4O2S.
What is the molecular weight of HBT-1?
The molecular weight is approximately 386.4 g/mol.
What is another name for HBT-1?
HBT-1 is also referred to as HBT1.
What type of chemical structure does HBT-1 contain?
HBT-1 contains a substituted tetrahydrobenzothiophene framework linked to a substituted pyrazole group through an acetamide-containing linker.
Does HBT-1 contain fluorine?
Yes. The molecular structure contains a trifluoromethyl group with three fluorine atoms.
In which form is HBT-1 supplied?
It is supplied as a laboratory powder in sealed packaging.
Is this product intended for human or animal use?
No. This material is supplied exclusively as a laboratory reference compound.
Disclaimer:
This product is supplied exclusively as a chemical reference material for laboratory and analytical purposes. Not for human or animal consumption. Not intended for food, supplement, cosmetic, medical, diagnostic or therapeutic use.
| 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 |
