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· · COA & SDS available for every product · Same-day shipping on in-stock items Tiopinac (RS 40974) - Moligand™,≥99% , CAS No.61220-69-7
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99% Synonyms
2-{2-oxo-9-thiatricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,11,13-hexaen-6-yl}acetic acid | DTXSID80210140 | Tiopinacum | Q27252768 | RS 40974 | Tiopinac [USAN:INN:BAN] | Tiopinac (USAN/INN) | (5-Oxo-5,11-dihydro-10-thia-dibenzo[a,d]cyclohepten-8-yl)-acetic
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Tiopinac (RS 40974), a dibenzthiepin, is an active and highly potent anti-inflammatory and anti-pyretic agent.
Specifications Synonyms
2-{2-oxo-9-thiatricyclo[9.4.0.0?, ?]pentadeca-1(15), 3, 5, 7, 11, 13-hexaen-6-yl}acetic acid | DTXSID80210140 | Tiopinacum | Q27252768 | RS 40974 | Tiopinac [USAN:INN:BAN] | Tiopinac (USAN/INN) | (5-Oxo-5, 11-dihydro-10-thia-dibenzo[a, d]cyclohepten-8-yl)-acetic
Specifications & Purity
Moligand™, ≥99%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)O IUPAC Name 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid InChIKey KLIVRBFRQSOGQI-UHFFFAOYSA-N INCHI 1S/C16H12O3S/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18) Isomeric SMILES C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)O Alternate CAS 61220-69-7,77625-78-6 (hydrochloride salt) PubChem CID 43585 MeSH Entry Terms tiopinac;tiopinac sodium salt Molecular Weight 284.33
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzothiepins Subclass Dibenzothiepins Intermediate Tree Nodes Not available Direct Parent Dibenzothiepins Alternative Parents Aryl ketones Alkylarylthioethers Vinylogous thioesters Benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Dibenzothiepin - Aryl thioether - Aryl ketone - Alkylarylthioether - Benzenoid - Vinylogous thioester - Ketone - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 284.300 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 284.051 Da Monoisotopic Mass 284.051 Da Topological Polar Surface Area 79.700 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 395.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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