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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Thioxanthine - ≥95% , CAS No.2487-40-3
Synonyms
2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one | 6-Hydroxypurine-2-thiol | 1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one | 2-sulfanylidene-3,7-dihydropurin-6-one | 2-Thioxanthene | 2-Mercapto-6-hydroxypurine | 2-Mercaptohypoxanthine | 2-Thioxo-2,3-dihydro-1H-pur
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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.
Specifications Synonyms
2-thioxo-1, 2, 3, 7-tetrahydro-6H-purin-6-one | 6-Hydroxypurine-2-thiol | 1, 2, 3, 7-Tetrahydro-2-thioxo-6H-purin-6-one | 2-sulfanylidene-3, 7-dihydropurin-6-one | 2-Thioxanthene | 2-Mercapto-6-hydroxypurine | 2-Mercaptohypoxanthine | 2-Thioxo-2, 3-dihydro-1H-pur
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid 504760445 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504760445 Canonical Smiles C1=NC2=C(N1)C(=O)NC(=S)N2 IUPAC Name 2-sulfanylidene-3,7-dihydropurin-6-one InChIKey XNHFAGRBSMMFKL-UHFFFAOYSA-N INCHI 1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) Isomeric SMILES C1=NC2=C(N1)C(=O)NC(=S)N2 RTECS UP0825000 PubChem CID 1268185 Molecular Weight 168.17 Reaxy-Rn 516900
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 Imidazopyrimidines Subclass Purines and purine derivatives Intermediate Tree Nodes Not available Direct Parent Thioxanthines Alternative Parents 6-oxopurines Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Imidazoles Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Thioxanthine - 6-oxopurine - Purinone - 2-thiopyrimidine - Thiopyrimidine - Pyrimidone - Pyrimidinethione - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group. 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 Solubility Slightly soluble in water Molecular Weight 168.180 g/mol XLogP3 -0.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 168.011 Da Monoisotopic Mass 168.011 Da Topological Polar Surface Area 102.000 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 219.000 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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